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

Systemtic Name: (2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)butanedioic acid Openeye Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)butanedioic acid CAS Name: (2S)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)butanedioic acid IUPAC Name: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)butanedioic acid Traditional Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)succinic acid Formula: C9H12N2O5 MolecularWeight: 228.20198

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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)/t7-/m0/s1