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

Systemtic Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide; ethyl sulfate Openeye Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide; ethyl sulfate CAS Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heneicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide; ethyl sulfate IUPAC Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide; ethyl sulfate Traditional Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heneicosyl-2-imidazolin-1-ium-1-yl)ethyl]behenamide; ethyl sulfate Formula: C55H108N4O5S MolecularWeight: 937.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H103N4O.C2H6O4S/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;1-2-6-7(3,4)5/h4-45,47-51H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1