2-(3-methylimidazol-3-ium-1-yl)ethanoate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethanoate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)acetate CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)acetate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)acetate Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)acetate Formula: C6H8N2O2 MolecularWeight: 140.13992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N2O2/c1-7-2-3-8(5-7)4-6(9)10/h2-3,5H,4H2,1H3