1-(2,5-dimethoxyphenyl)-2-(4-ethanoyl-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)ethanone bromide CAS Name: 2-(4-acetyl-4-phenyl-1-piperidin-1-iumyl)-1-(2,5-dimethoxyphenyl)ethanone bromide IUPAC Name: 2-(4-acetyl-4-phenylpiperidin-1-ium-1-yl)-1-(2,5-dimethoxyphenyl)ethanone bromide Traditional Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(2,5-dimethoxyphenyl)ethanone bromide Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4.BrH/c1-17(25)23(18-7-5-4-6-8-18)11-13-24(14-12-23)16-21(26)20-15-19(27-2)9-10-22(20)28-3;/h4-10,15H,11-14,16H2,1-3H3;1H