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

Systemtic Name: (2S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)butanoic acid Openeye Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)butanoic acid CAS Name: (2S)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)butanoic acid IUPAC Name: (2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)butanoic acid Traditional Name: (2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)butyric acid Formula: C9H14N2O3 MolecularWeight: 198.21906

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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)/t8-/m0/s1