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

Systemtic Name: 5-(pyridazin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid bromide Openeye Name: 5-(pyridazin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid bromide CAS Name: 5-(1-pyridazin-1-iumylmethyl)pyridine-2,3-dicarboxylic acid bromide IUPAC Name: 5-(pyridazin-1-ium-1-ylmethyl)pyridine-2,3-dicarboxylic acid bromide Traditional Name: 5-(pyridazin-1-ium-1-ylmethyl)quinolinic acid bromide Formula: C12H10BrN3O4 MolecularWeight: 340.1295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O4.BrH/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);1H