2-(1H-imidazol-3-ium-5-yl)ethanoate

Systemtic Name: 2-(1H-imidazol-3-ium-5-yl)ethanoate Openeye Name: 2-(1H-imidazol-3-ium-5-yl)acetate CAS Name: 2-(1H-imidazol-3-ium-5-yl)acetate IUPAC Name: 2-(1H-imidazol-3-ium-5-yl)acetate Traditional Name: 2-(1H-imidazol-3-ium-5-yl)acetate Formula: C5H6N2O2 MolecularWeight: 126.11334

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=[NH+]1)CC(=O)[O-]

Isomeric SMILES

C1=C(NC=[NH+]1)CC(=O)[O-]

InChI

InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)