[3-carboxy-4-(phenylmethyl)henicos-1-en-3-yl]-trimethyl-azanium

Systemtic Name: [3-carboxy-4-(phenylmethyl)henicos-1-en-3-yl]-trimethyl-azanium Openeye Name: (2-benzyl-1-carboxy-1-vinyl-nonadecyl)-trimethyl-ammonium CAS Name: [3-carboxy-4-(phenylmethyl)heneicos-1-en-3-yl]-trimethylammonium IUPAC Name: (4-benzyl-3-carboxyhenicos-1-en-3-yl)-trimethylazanium Traditional Name: [1-(1-benzyloctadecyl)-1-carboxy-allyl]-trimethyl-ammonium Formula: C32H56NO2+ MolecularWeight: 486.79254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(C=C)(C(=O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(C=C)(C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C32H55NO2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(28-29-25-22-21-23-26-29)32(7-2,31(34)35)33(3,4)5/h7,21-23,25-26,30H,2,6,8-20,24,27-28H2,1,3-5H3/p+1