1-(4-bromophenyl)-2-(4-ethanoyl-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-(4-ethanoyl-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide Openeye Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide CAS Name: 2-(4-acetyl-4-phenyl-1-piperidin-1-iumyl)-1-(4-bromophenyl)ethanone bromide IUPAC Name: 2-(4-acetyl-4-phenylpiperidin-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide Traditional Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide Formula: C21H23Br2NO2 MolecularWeight: 481.22082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO2.BrH/c1-16(24)21(18-5-3-2-4-6-18)11-13-23(14-12-21)15-20(25)17-7-9-19(22)10-8-17;/h2-10H,11-15H2,1H3;1H