1-[3,5-bis(bromanyl)phenyl]-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-[3,5-bis(bromanyl)phenyl]-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,5-dibromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(3,5-dibromophenyl)-2-(3-methyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(3,5-dibromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,5-dibromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide Formula: C14H12Br3NO MolecularWeight: 449.96318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC(=O)C2=CC(=CC(=C2)Br)Br.[Br-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(=O)C2=CC(=CC(=C2)Br)Br.[Br-]

InChI

InChI=1S/C14H12Br2NO.BrH/c1-10-3-2-4-17(8-10)9-14(18)11-5-12(15)7-13(16)6-11;/h2-8H,9H2,1H3;1H/q+1;/p-1