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

Systemtic Name: 5-(pyridazin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid Openeye Name: 5-(pyridazin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid CAS Name: 5-(1-pyridazin-1-iumylmethyl)pyridine-2,3-dicarboxylic acid IUPAC Name: 5-(pyridazin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid Traditional Name: 5-(pyridazin-1-ium-1-ylmethyl)quinolinic acid Formula: C12H10N3O4+ MolecularWeight: 260.2255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O4/c16-11(17)9-5-8(6-13-10(9)12(18)19)7-15-4-2-1-3-14-15/h1-6H,7H2,(H-,16,17,18,19)/p+1