2-(3-oxidanylpyridin-1-ium-1-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(3-oxidanylpyridin-1-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-phenyl-ethanone bromide Formula: C13H12BrNO2 MolecularWeight: 294.14388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO2.BrH/c15-12-7-4-8-14(9-12)10-13(16)11-5-2-1-3-6-11;/h1-9H,10H2;1H