N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]icosanamide; methyl sulfate

Systemtic Name: N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]icosanamide; methyl sulfate Openeye Name: N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]icosanamide; methyl sulfate CAS Name: N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]eicosanamide; methyl sulfate IUPAC Name: N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]icosanamide; methyl sulfate Traditional Name: N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-2-imidazolin-1-ium-1-yl)ethyl]arachidamide; methyl sulfate Formula: C49H96N4O5S MolecularWeight: 853.37534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C48H93N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-47-50-42-45-52(47,3)46-44-51(43-38-41-49)48(53)40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-40,42-46H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1