hexadecan-2-yl-dimethyl-(phenylmethyl)azanium benzoate

Systemtic Name: hexadecan-2-yl-dimethyl-(phenylmethyl)azanium benzoate Openeye Name: benzyl-dimethyl-(1-methylpentadecyl)ammonium benzoate CAS Name: hexadecan-2-yl-dimethyl-(phenylmethyl)ammonium benzoate IUPAC Name: benzyl-hexadecan-2-yl-dimethylazanium benzoate Traditional Name: benzyl-dimethyl-(1-methylpentadecyl)ammonium benzoate Formula: C32H51NO2 MolecularWeight: 481.75284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N.C7H6O2/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-24(2)26(3,4)23-25-21-18-16-19-22-25;8-7(9)6-4-2-1-3-5-6/h16,18-19,21-22,24H,5-15,17,20,23H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1