3-[[1-(2-cyclohexylethyl)-4-oxidanyl-4-phenyl-piperidin-3-yl]-oxidanyl-methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[[1-(2-cyclohexylethyl)-4-oxidanyl-4-phenyl-piperidin-3-yl]-oxidanyl-methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[1-(2-cyclohexylethyl)-4-hydroxy-4-phenyl-3-piperidyl]-hydroxy-methyl]benzonitrile hydrochloride CAS Name: 3-[[1-(2-cyclohexylethyl)-4-hydroxy-4-phenyl-3-piperidinyl]-hydroxymethyl]benzonitrile hydrochloride IUPAC Name: 3-[[1-(2-cyclohexylethyl)-4-hydroxy-4-phenylpiperidin-3-yl]-hydroxymethyl]benzonitrile hydrochloride Traditional Name: 3-[[1-(2-cyclohexylethyl)-4-hydroxy-4-phenyl-3-piperidyl]-hydroxy-methyl]benzonitrile hydrochloride Formula: C27H35ClN2O2 MolecularWeight: 455.032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CCC(C(C2)C(C3=CC=CC(=C3)C#N)O)(C4=CC=CC=C4)O.Cl

Isomeric SMILES

C1CCC(CC1)CCN2CCC(C(C2)C(C3=CC=CC(=C3)C#N)O)(C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C27H34N2O2.ClH/c28-19-22-10-7-11-23(18-22)26(30)25-20-29(16-14-21-8-3-1-4-9-21)17-15-27(25,31)24-12-5-2-6-13-24;/h2,5-7,10-13,18,21,25-26,30-31H,1,3-4,8-9,14-17,20H2;1H