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

Systemtic Name: 2-(4-ethanoyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(4-acetyl-4-phenyl-1-piperidin-1-iumyl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(4-acetyl-4-phenylpiperidin-1-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(p-tolyl)ethanone bromide Formula: C22H26BrNO2 MolecularWeight: 416.35134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)(C3=CC=CC=C3)C(=O)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)(C3=CC=CC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C22H25NO2.BrH/c1-17-8-10-19(11-9-17)21(25)16-23-14-12-22(13-15-23,18(2)24)20-6-4-3-5-7-20;/h3-11H,12-16H2,1-2H3;1H