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

Systemtic Name: 3-(hexadecanoylamino)propyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-phenyl-azanium chloride Openeye Name: 3-(hexadecanoylamino)propyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]-phenyl-ammonium chloride CAS Name: methyl-[3-(1-oxohexadecylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]-phenylammonium chloride IUPAC Name: 3-(hexadecanoylamino)propyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]-phenylazanium chloride Traditional Name: (2-ketopyrrolidino)methyl-methyl-(3-palmitamidopropyl)-phenyl-ammonium chloride Formula: C31H54ClN3O2 MolecularWeight: 536.23236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53N3O2.ClH/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;1H