8755
  -OEChem-01191616392D

 67 66  0     0  0  0  0  0  0999 V2000
   10.9512    7.3700    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    4.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    3.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991   10.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991   11.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   12.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   13.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   13.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   14.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    4.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    6.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    5.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    5.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    6.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    5.2960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590    5.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    2.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3059    3.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890    7.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3905    7.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0791    7.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    7.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6550    9.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2565    8.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9451    8.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3437    9.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5210   10.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1225   10.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8112   10.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2097   10.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3871   12.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885   11.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6772   11.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757   12.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531   13.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8546   13.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5432   13.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   13.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9512   14.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   15.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7112   14.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 12  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  9  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 13  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 20  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 21  1  0  0  0  0
 18 56  1  0  0  0  0
 19 22  2  0  0  0  0
 19 57  1  0  0  0  0
 20 23  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 24  2  0  0  0  0
 21 62  1  0  0  0  0
 22 24  1  0  0  0  0
 22 63  1  0  0  0  0
 23 25  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
8755

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
265

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6AAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAAAAAADADBGAQyAIMAAACAAiBCAACCAAAgAAAIiAAIBIgIICKAkRGEIAhggACIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
benzyl-dimethyl-tetradecyl-ammonium;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
dimethyl-(phenylmethyl)-tetradecylammonium;chloride

> <PUBCHEM_IUPAC_NAME>
benzyl-dimethyl-tetradecylazanium;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dimethyl-(phenylmethyl)-tetradecyl-azanium;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzyl-dimethyl-myristyl-ammonium;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
OCBHHZMJRVXXQK-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
367.300578

> <PUBCHEM_MOLECULAR_FORMULA>
C23H42ClN

> <PUBCHEM_MOLECULAR_WEIGHT>
368.03928

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.300578

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  18  8
12  19  8
18  21  8
19  22  8
21  24  8
22  24  8

$$$$
