5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid

Systemtic Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid Openeye Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid CAS Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid IUPAC Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid Traditional Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]quinolinic acid Formula: C12H12N3O4+ MolecularWeight: 262.24138

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C[N+]1=C(NC=C1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H11N3O4/c1-15-3-2-13-9(15)5-7-4-8(11(16)17)10(12(18)19)14-6-7/h2-4,6H,5H2,1H3,(H2,16,17,18,19)/p+1