[1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanyl-piperidin-4-yl]-phenyl-methanone hydrochloride

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanyl-piperidin-4-yl]-phenyl-methanone hydrochloride Openeye Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-piperidyl]-phenyl-methanone hydrochloride CAS Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-piperidinyl]-phenylmethanone hydrochloride IUPAC Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxypiperidin-4-yl]-phenylmethanone hydrochloride Traditional Name: (1-homoveratryl-2-hydroxy-4-piperidyl)-phenyl-methanone hydrochloride Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(CC2O)C(=O)C3=CC=CC=C3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCC(CC2O)C(=O)C3=CC=CC=C3)OC.Cl

InChI

InChI=1S/C22H27NO4.ClH/c1-26-19-9-8-16(14-20(19)27-2)10-12-23-13-11-18(15-21(23)24)22(25)17-6-4-3-5-7-17;/h3-9,14,18,21,24H,10-13,15H2,1-2H3;1H