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

Systemtic Name: (2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)pentanedioic acid Openeye Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)pentanedioic acid CAS Name: (2S)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)pentanedioic acid IUPAC Name: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)pentanedioic acid Traditional Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)glutaric acid Formula: C10H14N2O5 MolecularWeight: 242.22856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O5/c1-6-7(2)12(17)5-11(6)8(10(15)16)3-4-9(13)14/h5,8H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1