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

Systemtic Name: 1-(2,4-dimethoxyphenyl)-2-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide CAS Name: 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenyl-1-piperidin-1-iumyl)ethanone bromide IUPAC Name: 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C[NH+]2CCC(CC2)(C3=CC=CC=C3)O)OC.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C[NH+]2CCC(CC2)(C3=CC=CC=C3)O)OC.[Br-]

InChI

InChI=1S/C21H25NO4.BrH/c1-25-17-8-9-18(20(14-17)26-2)19(23)15-22-12-10-21(24,11-13-22)16-6-4-3-5-7-16;/h3-9,14,24H,10-13,15H2,1-2H3;1H