4-(docosanoylamino)butyl-dodecyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride

Systemtic Name: 4-(docosanoylamino)butyl-dodecyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium chloride Openeye Name: 4-(docosanoylamino)butyl-dodecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: dodecyl-methyl-[4-(1-oxodocosylamino)butyl]-[(2-oxo-1-pyrrolidinyl)methyl]ammonium chloride IUPAC Name: 4-(docosanoylamino)butyl-dodecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride Traditional Name: 4-(docosanoylamino)butyl-[(2-ketopyrrolidino)methyl]-lauryl-methyl-ammonium chloride Formula: C44H88ClN3O2 MolecularWeight: 726.64142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCC[N+](C)(CCCCCCCCCCCC)CN1CCCC1=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCC[N+](C)(CCCCCCCCCCCC)CN1CCCC1=O.[Cl-]

InChI

InChI=1S/C44H87N3O2.ClH/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-36-43(48)45-38-32-34-41-47(3,42-46-39-35-37-44(46)49)40-33-30-28-26-15-13-11-9-7-5-2;/h4-42H2,1-3H3;1H