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

Systemtic Name: 2-(4-ethanoyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(4-acetyl-4-phenyl-1-piperidin-1-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(4-acetyl-4-phenylpiperidin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3.BrH/c1-17(24)22(19-6-4-3-5-7-19)12-14-23(15-13-22)16-21(25)18-8-10-20(26-2)11-9-18;/h3-11H,12-16H2,1-2H3;1H