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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=N1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O.[Br-]

Isomeric SMILES

C1=C[N+](=CC=N1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O.[Br-]

InChI

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