5-(pyridin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid

Systemtic Name: 5-(pyridin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid Openeye Name: 5-(pyridin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid CAS Name: 5-(1-pyridin-1-iumylmethyl)pyridine-2,3-dicarboxylic acid IUPAC Name: 5-(pyridin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid Traditional Name: 5-(pyridin-1-ium-1-ylmethyl)quinolinic acid Formula: C13H11N2O4+ MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O4/c16-12(17)10-6-9(7-14-11(10)13(18)19)8-15-4-2-1-3-5-15/h1-7H,8H2,(H-,16,17,18,19)/p+1