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1-(2-hexadecylphenyl)heptadecyl-trimethyl-azanium chloride

1-(2-hexadecylphenyl)heptadecyl-trimethyl-azanium chloride

Systemtic Name:1-(2-hexadecylphenyl)heptadecyl-trimethyl-azanium chloride
Openeye Name:1-(2-hexadecylphenyl)heptadecyl-trimethyl-ammonium chloride
CAS Name:1-(2-hexadecylphenyl)heptadecyl-trimethylammonium chloride
IUPAC Name:1-(2-hexadecylphenyl)heptadecyl-trimethylazanium chloride
Traditional Name:1-(2-cetylphenyl)heptadecyl-trimethyl-ammonium chloride
Formula: C42H80ClN
MolecularWeight: 634.5443
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCCCCCC)[N+](C)(C)C.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCCCCCC)[N+](C)(C)C.[Cl-]


InChI

InChI=1S/C42H80N.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-40-37-34-35-38-41(40)42(43(3,4)5)39-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h34-35,37-38,42H,6-33,36,39H2,1-5H3;1H/q+1;/p-1


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