2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C21H20BrNO MolecularWeight: 382.2936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C21H20NO.BrH/c1-16-12-17(2)14-22(13-16)15-21(23)20-10-8-19(9-11-20)18-6-4-3-5-7-18;/h3-14H,15H2,1-2H3;1H/q+1;/p-1