trimethyl(octadecyl)azanium benzoate

Systemtic Name: trimethyl(octadecyl)azanium benzoate Openeye Name: trimethyl(octadecyl)ammonium benzoate CAS Name: trimethyl(octadecyl)ammonium benzoate IUPAC Name: trimethyl(octadecyl)azanium benzoate Traditional Name: trimethyl(stearyl)ammonium benzoate Formula: C28H51NO2 MolecularWeight: 433.71004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46N.C7H6O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;8-7(9)6-4-2-1-3-5-6/h5-21H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1