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

Systemtic Name: 2-(4-ethanoyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(4-acetyl-4-phenyl-1-piperidin-1-iumyl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(4-acetyl-4-phenylpiperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C27H28BrNO2 MolecularWeight: 478.42072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC[NH+](CC1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(=O)C1(CC[NH+](CC1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H27NO2.BrH/c1-21(29)27(25-10-6-3-7-11-25)16-18-28(19-17-27)20-26(30)24-14-12-23(13-15-24)22-8-4-2-5-9-22;/h2-15H,16-20H2,1H3;1H