dodecyl-dimethyl-(phenylmethyl)azanium; (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; (9E,12E)-octadeca-9,12-dienoate Openeye Name: benzyl-dodecyl-dimethyl-ammonium; (9E,12E)-octadeca-9,12-dienoate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; (9E,12E)-octadeca-9,12-dienoate IUPAC Name: benzyl-dodecyl-dimethylazanium; (9E,12E)-octadeca-9,12-dienoate Traditional Name: benzyl-lauryl-dimethyl-ammonium; (9E,12E)-octadeca-9,12-dienoate Formula: C39H69NO2 MolecularWeight: 583.97066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.C18H32O2/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-15,17-18H,4-12,16,19-20H2,1-3H3;6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/q+1;/p-1/b;7-6+,10-9+