2-ethenyl-3-(phenylmethyl)-2-(trimethylazaniumyl)icosanoate

Systemtic Name: 2-ethenyl-3-(phenylmethyl)-2-(trimethylazaniumyl)icosanoate Openeye Name: 3-benzyl-2-(trimethylammonio)-2-vinyl-icosanoate CAS Name: 2-ethenyl-3-(phenylmethyl)-2-(trimethylammonio)eicosanoate IUPAC Name: 3-benzyl-2-ethenyl-2-(trimethylazaniumyl)icosanoate Traditional Name: 2-(1-benzyloctadecyl)-2-(trimethylammonio)but-3-enoate Formula: C32H55NO2 MolecularWeight: 485.7846

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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