1-hydroxyethyl-dimethyl-[1-(octadecanoylamino)propyl]azanium benzoate

Systemtic Name: 1-hydroxyethyl-dimethyl-[1-(octadecanoylamino)propyl]azanium benzoate Openeye Name: 1-hydroxyethyl-dimethyl-[1-(octadecanoylamino)propyl]ammonium benzoate CAS Name: 1-hydroxyethyl-dimethyl-[1-(1-oxooctadecylamino)propyl]ammonium benzoate IUPAC Name: 1-hydroxyethyl-dimethyl-[1-(octadecanoylamino)propyl]azanium benzoate Traditional Name: 1-hydroxyethyl-dimethyl-(1-stearamidopropyl)ammonium benzoate Formula: C32H58N2O4 MolecularWeight: 534.81392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H52N2O2.C7H6O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(29)26-24(7-2)27(4,5)23(3)28;8-7(9)6-4-2-1-3-5-6/h23-24,28H,6-22H2,1-5H3;1-5H,(H,8,9)