(E)-N-[2-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)propan-2-yl]octadec-9-enamide chloride

Systemtic Name: (E)-N-[2-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)propan-2-yl]octadec-9-enamide chloride Openeye Name: (E)-N-[1-methyl-1-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethyl]octadec-9-enamide chloride CAS Name: (E)-N-[2-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)propan-2-yl]-9-octadecenamide chloride IUPAC Name: (E)-N-[2-(2-octadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)propan-2-yl]octadec-9-enamide chloride Traditional Name: (E)-N-[1-methyl-1-(2-stearyl-2-imidazolin-1-ium-1-yl)ethyl]octadec-9-enamide chloride Formula: C42H82ClN3O MolecularWeight: 680.57298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=[N+](CCN1)C(C)(C)NC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=[N+](CCN1)C(C)(C)NC(=O)CCCCCCC/C=C/CCCCCCCC.[Cl-]

InChI

InChI=1S/C42H81N3O.ClH/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-40-43-38-39-45(40)42(3,4)44-41(46)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2;/h20,22H,5-19,21,23-39H2,1-4H3,(H,44,46);1H/b22-20+;