1-phenacylpyridin-1-ium-2,4-dicarboxylic acid bromide

Systemtic Name: 1-phenacylpyridin-1-ium-2,4-dicarboxylic acid bromide Openeye Name: 1-phenacylpyridin-1-ium-2,4-dicarboxylic acid bromide CAS Name: 1-phenacylpyridin-1-ium-2,4-dicarboxylic acid bromide IUPAC Name: 1-phenacylpyridin-1-ium-2,4-dicarboxylic acid bromide Traditional Name: 1-phenacylpyridin-1-ium-2,4-dicarboxylic acid bromide Formula: C15H12BrNO5 MolecularWeight: 366.16348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=C(C=C(C=C2)C(=O)O)C(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=C(C=C(C=C2)C(=O)O)C(=O)O.[Br-]

InChI

InChI=1S/C15H11NO5.BrH/c17-13(10-4-2-1-3-5-10)9-16-7-6-11(14(18)19)8-12(16)15(20)21;/h1-8H,9H2,(H-,18,19,20,21);1H