(2R)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-methylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-methylsulfanyl-propanoic acid Openeye Name: (2R)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-methylsulfanyl-propanoic acid CAS Name: (2R)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)-3-(methylthio)propanoic acid IUPAC Name: (2R)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-3-methylsulfanylpropanoic acid Traditional Name: (2R)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-(methylthio)propionic acid Formula: C9H14N2O3S MolecularWeight: 230.28406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O3S/c1-6-7(2)11(14)5-10(6)8(4-15-3)9(12)13/h5,8H,4H2,1-3H3,(H,12,13)/t8-/m0/s1