1-(4-chlorophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone bromide Formula: C13H11BrClNO2 MolecularWeight: 328.58894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClNO2.BrH/c14-11-5-3-10(4-6-11)13(17)9-15-7-1-2-12(16)8-15;/h1-8H,9H2;1H