dimethyl-[1-(octadecanoylamino)-1-(2-oxidanylidenepyrrolidin-1-yl)butyl]azanium chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)(N1CCCC1=O)[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)(N1CCCC1=O)[NH+](C)C.[Cl-]

InChI

InChI=1S/C28H55N3O2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(32)29-28(24-6-2,30(3)4)31-25-21-23-27(31)33;/h5-25H2,1-4H3,(H,29,32);1H