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

Systemtic Name: (2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)propanoate Openeye Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)propanoate CAS Name: (2S)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)propanoate IUPAC Name: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)propanoate Traditional Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)propionate Formula: C8H11N2O3- MolecularWeight: 183.18454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O3/c1-5-6(2)10(13)4-9(5)7(3)8(11)12/h4,7H,1-3H3,(H,11,12)/p-1/t7-/m0/s1