3-(hexadecanoylamino)propyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-phenyl-azanium

Systemtic Name: 3-(hexadecanoylamino)propyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-phenyl-azanium Openeye Name: 3-(hexadecanoylamino)propyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]-phenyl-ammonium CAS Name: methyl-[3-(1-oxohexadecylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]-phenylammonium IUPAC Name: 3-(hexadecanoylamino)propyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]-phenylazanium Traditional Name: (2-ketopyrrolidino)methyl-methyl-(3-palmitamidopropyl)-phenyl-ammonium Formula: C31H54N3O2+ MolecularWeight: 500.77936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CN1CCCC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CN1CCCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C31H53N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-23-30(35)32-25-20-27-34(2,29-21-16-15-17-22-29)28-33-26-19-24-31(33)36/h15-17,21-22H,3-14,18-20,23-28H2,1-2H3/p+1