hexadecyl-methyl-[4-(octanoylamino)butyl]-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride

Systemtic Name: hexadecyl-methyl-[4-(octanoylamino)butyl]-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride Openeye Name: hexadecyl-methyl-[4-(octanoylamino)butyl]-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: hexadecyl-methyl-[4-(1-oxooctylamino)butyl]-[(2-oxo-1-pyrrolidinyl)methyl]ammonium chloride IUPAC Name: hexadecyl-methyl-[4-(octanoylamino)butyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride Traditional Name: 4-(caprylylamino)butyl-cetyl-[(2-ketopyrrolidino)methyl]-methyl-ammonium chloride Formula: C34H68ClN3O2 MolecularWeight: 586.37562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCCNC(=O)CCCCCCC)CN1CCCC1=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCCNC(=O)CCCCCCC)CN1CCCC1=O.[Cl-]

InChI

InChI=1S/C34H67N3O2.ClH/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-23-30-37(3,32-36-29-25-27-34(36)39)31-24-22-28-35-33(38)26-21-19-9-7-5-2;/h4-32H2,1-3H3;1H