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

Systemtic Name: methyl-[3-(octadecanoylamino)propyl]-octadecyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride Openeye Name: methyl-[3-(octadecanoylamino)propyl]-octadecyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: methyl-octadecyl-[3-(1-oxooctadecylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]ammonium chloride IUPAC Name: methyl-[3-(octadecanoylamino)propyl]-octadecyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride Traditional Name: (2-ketopyrrolidino)methyl-methyl-(3-stearamidopropyl)-stearyl-ammonium chloride Formula: C45H90ClN3O2 MolecularWeight: 740.668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H89N3O2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41-48(3,43-47-40-35-38-45(47)50)42-36-39-46-44(49)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h4-43H2,1-3H3;1H