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

Systemtic Name: 2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-4-methylsulfanyl-butanoic acid CAS Name: 2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)-4-(methylthio)butanoic acid IUPAC Name: 2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoic acid Traditional Name: 2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-4-(methylthio)butyric acid Formula: C10H16N2O3S MolecularWeight: 244.31064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O3S/c1-7-8(2)12(15)6-11(7)9(10(13)14)4-5-16-3/h6,9H,4-5H2,1-3H3,(H,13,14)