hexadecyl-dimethyl-(phenylmethyl)azanium benzoate

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium benzoate Openeye Name: benzyl-hexadecyl-dimethyl-ammonium benzoate CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium benzoate IUPAC Name: benzyl-hexadecyl-dimethylazanium benzoate Traditional Name: benzyl-cetyl-dimethyl-ammonium benzoate Formula: C32H51NO2 MolecularWeight: 481.75284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N.C7H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;8-7(9)6-4-2-1-3-5-6/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1-5H,(H,8,9)/q+1;/p-1