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

Systemtic Name: 5-[(4-methylpyridin-1-ium-1-yl)methyl]pyridine-2,3-dicarboxylic acid Openeye Name: 5-[(4-methylpyridin-1-ium-1-yl)methyl]pyridine-2,3-dicarboxylic acid CAS Name: 5-[(4-methyl-1-pyridin-1-iumyl)methyl]pyridine-2,3-dicarboxylic acid IUPAC Name: 5-[(4-methylpyridin-1-ium-1-yl)methyl]pyridine-2,3-dicarboxylic acid Traditional Name: 5-[(4-methylpyridin-1-ium-1-yl)methyl]quinolinic acid Formula: C14H13N2O4+ MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4/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)/p+1