propan-2-yl 1-cyanoimidazol-1-ium-1-carboxylate

Systemtic Name: propan-2-yl 1-cyanoimidazol-1-ium-1-carboxylate Openeye Name: isopropyl 1-cyanoimidazol-1-ium-1-carboxylate CAS Name: 1-cyano-1-imidazol-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-cyanoimidazol-1-ium-1-carboxylate Traditional Name: 1-cyanoimidazol-1-ium-1-carboxylic acid isopropyl ester Formula: C8H10N3O2+ MolecularWeight: 180.1839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)[N+]1(C=CN=C1)C#N

Isomeric SMILES

CC(C)OC(=O)[N+]1(C=CN=C1)C#N

InChI

InChI=1S/C8H10N3O2/c1-7(2)13-8(12)11(5-9)4-3-10-6-11/h3-4,6-7H,1-2H3/q+1