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

Systemtic Name: (2R)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)-4-(methylthio)butanoate IUPAC Name: (2R)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-4-(methylthio)butyrate Formula: C10H15N2O3S- MolecularWeight: 243.3027

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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+](=CN1[C@H](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)/p-1/t9-/m1/s1