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

Systemtic Name: 5-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid bromide Openeye Name: 5-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid bromide CAS Name: 5-[(4,5-dimethyl-3-thiazol-3-iumyl)methyl]pyridine-2,3-dicarboxylic acid bromide IUPAC Name: 5-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]pyridine-2,3-dicarboxylic acid bromide Traditional Name: 5-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]quinolinic acid bromide Formula: C13H13BrN2O4S MolecularWeight: 373.22232

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4S.BrH/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);1H