1-(4-phenylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-phenylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-phenylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-phenylphenyl)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-phenylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-phenylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone bromide Formula: C22H22BrNO MolecularWeight: 396.32018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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