4-azanyl-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-4-oxo-butanoic acid CAS Name: 4-amino-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)-4-oxobutanoic acid IUPAC Name: 4-amino-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-oxobutanoic acid Traditional Name: 4-amino-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-4-keto-butyric acid Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CN1C(CC(=O)N)C(=O)O)[O-])C

Isomeric SMILES

CC1=C([N+](=CN1C(CC(=O)N)C(=O)O)[O-])C

InChI

InChI=1S/C9H13N3O4/c1-5-6(2)12(16)4-11(5)7(9(14)15)3-8(10)13/h4,7H,3H2,1-2H3,(H2,10,13)(H,14,15)