1-[3,4-bis(oxidanyl)phenyl]-2-(4-ethanoyl-4-phenyl-piperidin-1-ium-1-yl)ethanone chloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(4-ethanoyl-4-phenyl-piperidin-1-ium-1-yl)ethanone chloride Openeye Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride CAS Name: 2-(4-acetyl-4-phenyl-1-piperidin-1-iumyl)-1-(3,4-dihydroxyphenyl)ethanone chloride IUPAC Name: 2-(4-acetyl-4-phenylpiperidin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride Traditional Name: 2-(4-acetyl-4-phenyl-piperidin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4.ClH/c1-15(23)21(17-5-3-2-4-6-17)9-11-22(12-10-21)14-20(26)16-7-8-18(24)19(25)13-16;/h2-8,13,24-25H,9-12,14H2,1H3;1H