cyclohexyl-hexadecyl-dimethyl-azanium; octadecanoate

Systemtic Name: cyclohexyl-hexadecyl-dimethyl-azanium; octadecanoate Openeye Name: cyclohexyl-hexadecyl-dimethyl-ammonium; octadecanoate CAS Name: cyclohexyl-hexadecyl-dimethylammonium; octadecanoate IUPAC Name: cyclohexyl-hexadecyl-dimethylazanium; octadecanoate Traditional Name: cetyl-cyclohexyl-dimethyl-ammonium; stearate Formula: C42H85NO2 MolecularWeight: 636.1298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C1CCCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C1CCCCC1

InChI

InChI=1S/C24H50N.C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(2,3)24-21-18-17-19-22-24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h24H,4-23H2,1-3H3;2-17H2,1H3,(H,19,20)/q+1;/p-1