dimethyl-[3-(octadecanoylamino)propyl]-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride Openeye Name: dimethyl-[3-(octadecanoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: dimethyl-[3-(1-oxooctadecylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]ammonium chloride IUPAC Name: dimethyl-[3-(octadecanoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride Traditional Name: (2-ketopyrrolidino)methyl-dimethyl-(3-stearamidopropyl)ammonium chloride Formula: C28H56ClN3O2 MolecularWeight: 502.21614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CN1CCCC1=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CN1CCCC1=O.[Cl-]

InChI

InChI=1S/C28H55N3O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(32)29-23-20-25-31(2,3)26-30-24-19-22-28(30)33;/h4-26H2,1-3H3;1H