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

Systemtic Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; (9E,12E,15E)-octadeca-9,12,15-trienoate CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; (9E,12E,15E)-octadeca-9,12,15-trienoate Traditional Name: benzyl(trimethyl)ammonium; (9E,12E,15E)-octadeca-9,12,15-trienoate Formula: C28H45NO2 MolecularWeight: 427.6624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O2.C10H16N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-11(2,3)9-10-7-5-4-6-8-10/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);4-8H,9H2,1-3H3/q;+1/p-1/b4-3+,7-6+,10-9+;