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

Systemtic Name: (2R)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)butanoate Openeye Name: (2R)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)butanoate CAS Name: (2R)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)butanoate IUPAC Name: (2R)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)butanoate Traditional Name: (2R)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)butyrate Formula: C9H13N2O3- MolecularWeight: 197.21112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C=[N+](C(=C1C)C)[O-]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C=[N+](C(=C1C)C)[O-]

InChI

InChI=1S/C9H14N2O3/c1-4-8(9(12)13)10-5-11(14)7(3)6(10)2/h5,8H,4H2,1-3H3,(H,12,13)/p-1/t8-/m1/s1