3-(hexadecanoylamino)propyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 3-(hexadecanoylamino)propyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(hexadecanoylamino)propyl]-dimethyl-ammonium CAS Name: dimethyl-[3-(1-oxohexadecylamino)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(hexadecanoylamino)propyl]-dimethylazanium Traditional Name: benzyl-dimethyl-(3-palmitamidopropyl)ammonium Formula: C28H51N2O+ MolecularWeight: 431.71734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-23-28(31)29-24-20-25-30(2,3)26-27-21-17-16-18-22-27/h16-18,21-22H,4-15,19-20,23-26H2,1-3H3/p+1