5-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid

Systemtic Name: 5-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid Openeye Name: 5-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid CAS Name: 5-[(4,5-dimethyl-3-thiazol-3-iumyl)methyl]pyridine-2,3-dicarboxylic acid IUPAC Name: 5-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid Traditional Name: 5-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]quinolinic acid Formula: C13H13N2O4S+ MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(C(=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(C(=C2)C(=O)O)C(=O)O)C

InChI

InChI=1S/C13H12N2O4S/c1-7-8(2)20-6-15(7)5-9-3-10(12(16)17)11(13(18)19)14-4-9/h3-4,6H,5H2,1-2H3,(H-,16,17,18,19)/p+1