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

Systemtic Name: 1-[2-[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)propoxy]phenyl]ethanone chloride Openeye Name: 1-[2-[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)propoxy]phenyl]ethanone chloride CAS Name: 1-[2-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidin-1-iumyl)propoxy]phenyl]ethanone chloride IUPAC Name: 1-[2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone chloride Traditional Name: 1-[2-[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)propoxy]phenyl]ethanone chloride Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC(C[NH+]2CCC(CC2)(C3=CC=CC=C3)O)O.[Cl-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCC(C[NH+]2CCC(CC2)(C3=CC=CC=C3)O)O.[Cl-]

InChI

InChI=1S/C22H27NO4.ClH/c1-17(24)20-9-5-6-10-21(20)27-16-19(25)15-23-13-11-22(26,12-14-23)18-7-3-2-4-8-18;/h2-10,19,25-26H,11-16H2,1H3;1H