(2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)butanedioate

Systemtic Name: (2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)butanedioate Openeye Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)butanedioate CAS Name: (2S)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)butanedioate IUPAC Name: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)butanedioate Traditional Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)succinate Formula: C9H10N2O5-2 MolecularWeight: 226.1861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([N+](=CN1[C@@H](CC(=O)[O-])C(=O)[O-])[O-])C

InChI

InChI=1S/C9H12N2O5/c1-5-6(2)11(16)4-10(5)7(9(14)15)3-8(12)13/h4,7H,3H2,1-2H3,(H,12,13)(H,14,15)/p-2/t7-/m0/s1