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

Systemtic Name: 5-(isoquinolin-2-ium-2-ylmethyl)pyridine-2,3-dicarboxylic acid Openeye Name: 5-(isoquinolin-2-ium-2-ylmethyl)pyridine-2,3-dicarboxylic acid CAS Name: 5-(2-isoquinolin-2-iumylmethyl)pyridine-2,3-dicarboxylic acid IUPAC Name: 5-(isoquinolin-2-ium-2-ylmethyl)pyridine-2,3-dicarboxylic acid Traditional Name: 5-(isoquinolin-2-ium-2-ylmethyl)quinolinic acid Formula: C17H13N2O4+ MolecularWeight: 309.29612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=CN=C(C(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=CN=C(C(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12N2O4/c20-16(21)14-7-11(8-18-15(14)17(22)23)9-19-6-5-12-3-1-2-4-13(12)10-19/h1-8,10H,9H2,(H-,20,21,22,23)/p+1