2-[1-methyl-6-(2-oxidanyl-2-phenyl-ethyl)piperidin-1-ium-2-yl]-1-phenyl-ethanone chloride

Systemtic Name: 2-[1-methyl-6-(2-oxidanyl-2-phenyl-ethyl)piperidin-1-ium-2-yl]-1-phenyl-ethanone chloride Openeye Name: 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-piperidin-1-ium-2-yl]-1-phenyl-ethanone chloride CAS Name: 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidin-1-iumyl]-1-phenylethanone chloride IUPAC Name: 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-1-ium-2-yl]-1-phenylethanone chloride Traditional Name: 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-piperidin-1-ium-2-yl]-1-phenyl-ethanone chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H