1,3-dimethylimidazol-1-ium-4,5-dicarbonitrile; methyl sulfate

Systemtic Name: 1,3-dimethylimidazol-1-ium-4,5-dicarbonitrile; methyl sulfate Openeye Name: 1,3-dimethylimidazol-1-ium-4,5-dicarbonitrile; methyl sulfate CAS Name: 1,3-dimethylimidazol-1-ium-4,5-dicarbonitrile; methyl sulfate IUPAC Name: 1,3-dimethylimidazol-1-ium-4,5-dicarbonitrile; methyl sulfate Traditional Name: 1,3-dimethylimidazol-1-ium-4,5-dicarbonitrile; methyl sulfate Formula: C8H10N4O4S MolecularWeight: 258.2544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C(=C1C#N)C#N)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=[N+](C(=C1C#N)C#N)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C7H7N4.CH4O4S/c1-10-5-11(2)7(4-9)6(10)3-8;1-5-6(2,3)4/h5H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1