2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C22H22BrNO MolecularWeight: 396.32018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H22NO.BrH/c1-3-18-10-9-17(2)23(15-18)16-22(24)21-13-11-20(12-14-21)19-7-5-4-6-8-19;/h4-15H,3,16H2,1-2H3;1H/q+1;/p-1