2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-methylphenyl)ethanone bromide

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(p-tolyl)ethanone bromide Formula: C14H13Br2NO MolecularWeight: 371.06712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-]

InChI

InChI=1S/C14H13BrNO.BrH/c1-11-4-6-12(7-5-11)14(17)10-16-8-2-3-13(15)9-16;/h2-9H,10H2,1H3;1H/q+1;/p-1