N-(2-cyanoethyl)-N-[2-(1-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide

Systemtic Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide Openeye Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide CAS Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heneicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide IUPAC Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide Traditional Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heneicosyl-2-imidazolin-1-ium-1-yl)ethyl]behenamide Formula: C53H103N4O+ MolecularWeight: 812.41112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H103N4O/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-52-55-47-50-57(52,6-3)51-49-56(48-43-46-54)53(58)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-45,47-51H2,1-3H3/q+1