2-(4,5-dimethyl-3-oxidanidyl-2-pyridin-3-yl-imidazol-3-ium-1-yl)ethanoic acid

Systemtic Name: 2-(4,5-dimethyl-3-oxidanidyl-2-pyridin-3-yl-imidazol-3-ium-1-yl)ethanoic acid Openeye Name: 2-[4,5-dimethyl-3-oxido-2-(3-pyridyl)imidazol-3-ium-1-yl]acetic acid CAS Name: 2-[4,5-dimethyl-3-oxido-2-(3-pyridinyl)-1-imidazol-3-iumyl]acetic acid IUPAC Name: 2-(4,5-dimethyl-3-oxido-2-pyridin-3-ylimidazol-3-ium-1-yl)acetic acid Traditional Name: 2-[4,5-dimethyl-3-oxido-2-(3-pyridyl)imidazol-3-ium-1-yl]acetic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1CC(=O)O)C2=CN=CC=C2)[O-])C

Isomeric SMILES

CC1=C([N+](=C(N1CC(=O)O)C2=CN=CC=C2)[O-])C

InChI

InChI=1S/C12H13N3O3/c1-8-9(2)15(18)12(14(8)7-11(16)17)10-4-3-5-13-6-10/h3-6H,7H2,1-2H3,(H,16,17)