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

Systemtic Name: 5-[(4-methylpyridin-1-ium-1-yl)methyl]pyridine-2,3-dicarboxylic acid bromide Openeye Name: 5-[(4-methylpyridin-1-ium-1-yl)methyl]pyridine-2,3-dicarboxylic acid bromide CAS Name: 5-[(4-methyl-1-pyridin-1-iumyl)methyl]pyridine-2,3-dicarboxylic acid bromide IUPAC Name: 5-[(4-methylpyridin-1-ium-1-yl)methyl]pyridine-2,3-dicarboxylic acid bromide Traditional Name: 5-[(4-methylpyridin-1-ium-1-yl)methyl]quinolinic acid bromide Formula: C14H13BrN2O4 MolecularWeight: 353.16802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O.[Br-]

InChI

InChI=1S/C14H12N2O4.BrH/c1-9-2-4-16(5-3-9)8-10-6-11(13(17)18)12(14(19)20)15-7-10;/h2-7H,8H2,1H3,(H-,17,18,19,20);1H