3-(hexanoylamino)propyl-dioctadecyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride

Systemtic Name: 3-(hexanoylamino)propyl-dioctadecyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride Openeye Name: 3-(hexanoylamino)propyl-dioctadecyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: dioctadecyl-[3-(1-oxohexylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]ammonium chloride IUPAC Name: 3-(hexanoylamino)propyl-dioctadecyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride Traditional Name: 3-(caproylamino)propyl-[(2-ketopyrrolidino)methyl]-distearyl-ammonium chloride Formula: C50H100ClN3O2 MolecularWeight: 810.8009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H99N3O2.ClH/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-45-53(48-52-44-39-42-50(52)55,47-40-43-51-49(54)41-36-9-6-3)46-38-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2;/h4-48H2,1-3H3;1H