hexadecyl-dimethyl-(phenylmethyl)azanium; (9E,12E,15E)-octadeca-9,12,15-trienoate

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium; (9E,12E,15E)-octadeca-9,12,15-trienoate Openeye Name: benzyl-hexadecyl-dimethyl-ammonium; (9E,12E,15E)-octadeca-9,12,15-trienoate CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium; (9E,12E,15E)-octadeca-9,12,15-trienoate IUPAC Name: benzyl-hexadecyl-dimethylazanium; (9E,12E,15E)-octadeca-9,12,15-trienoate Traditional Name: benzyl-cetyl-dimethyl-ammonium; (9E,12E,15E)-octadeca-9,12,15-trienoate Formula: C43H75NO2 MolecularWeight: 638.0611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCC=CCC=CCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C25H46N.C18H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17-19,21-22H,4-16,20,23-24H2,1-3H3;3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/q+1;/p-1/b;4-3+,7-6+,10-9+