1-(4-bromophenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone bromide hydrate

Systemtic Name: 1-(4-bromophenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone bromide hydrate Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide hydrate CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-1-(4-bromophenyl)ethanone bromide hydrate IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide hydrate Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide hydrate Formula: C20H17Br2NO3 MolecularWeight: 479.16188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br.O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br.O.[Br-]

InChI

InChI=1S/C20H15BrNO2.BrH.H2O/c21-18-8-6-15(7-9-18)19(23)14-22-12-10-17(11-13-22)20(24)16-4-2-1-3-5-16;;/h1-13H,14H2;1H;1H2/q+1;;/p-1