5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid bromide

Systemtic Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid bromide Openeye Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid bromide CAS Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid bromide IUPAC Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridine-2,3-dicarboxylic acid bromide Traditional Name: 5-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]quinolinic acid bromide Formula: C12H12BrN3O4 MolecularWeight: 342.14538

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O.[Br-]

Isomeric SMILES

C[N+]1=C(NC=C1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O.[Br-]

InChI

InChI=1S/C12H11N3O4.BrH/c1-15-3-2-13-9(15)5-7-4-8(11(16)17)10(12(18)19)14-6-7;/h2-4,6H,5H2,1H3,(H2,16,17,18,19);1H