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

Systemtic Name: 5-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid Openeye Name: 5-[(4-methylthiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid CAS Name: 5-[(4-methyl-3-thiazol-3-iumyl)methyl]pyridine-2,3-dicarboxylic acid IUPAC Name: 5-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid Traditional Name: 5-[(4-methylthiazol-3-ium-3-yl)methyl]quinolinic acid Formula: C12H11N2O4S+ MolecularWeight: 279.29174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4S/c1-7-5-19-6-14(7)4-8-2-9(11(15)16)10(12(17)18)13-3-8/h2-3,5-6H,4H2,1H3,(H-,15,16,17,18)/p+1