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

Systemtic Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide; ethyl sulfate Openeye Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide; ethyl sulfate CAS Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide; ethyl sulfate IUPAC Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide; ethyl sulfate Traditional Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-2-imidazolin-1-ium-1-yl)ethyl]stearamide; ethyl sulfate Formula: C47H92N4O5S MolecularWeight: 825.32218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C45H87N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44-47-39-42-49(44,6-3)43-41-48(40-35-38-46)45(50)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-37,39-43H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1