methyl-[17-(2-oxidanylidenepyrrolidin-1-yl)tritriacontan-17-yl]azanium chloride

Systemtic Name: methyl-[17-(2-oxidanylidenepyrrolidin-1-yl)tritriacontan-17-yl]azanium chloride Openeye Name: [1-hexadecyl-1-(2-oxopyrrolidin-1-yl)heptadecyl]-methyl-ammonium chloride CAS Name: methyl-[17-(2-oxo-1-pyrrolidinyl)tritriacontan-17-yl]ammonium chloride IUPAC Name: methyl-[17-(2-oxopyrrolidin-1-yl)tritriacontan-17-yl]azanium chloride Traditional Name: [1-cetyl-1-(2-ketopyrrolidino)heptadecyl]-methyl-ammonium chloride Formula: C38H77ClN2O MolecularWeight: 613.48378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)([NH2+]C)N1CCCC1=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)([NH2+]C)N1CCCC1=O.[Cl-]

InChI

InChI=1S/C38H76N2O.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34-38(39-3,40-36-32-33-37(40)41)35-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h39H,4-36H2,1-3H3;1H