2-(dimethylaminomethyl)-1-(3-methylsulfanylphenyl)-4-phenylmethoxy-cyclohexan-1-ol hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-1-(3-methylsulfanylphenyl)-4-phenylmethoxy-cyclohexan-1-ol hydrochloride Openeye Name: 4-benzyloxy-2-(dimethylaminomethyl)-1-(3-methylsulfanylphenyl)cyclohexanol hydrochloride CAS Name: 2-(dimethylaminomethyl)-1-[3-(methylthio)phenyl]-4-phenylmethoxy-1-cyclohexanol hydrochloride IUPAC Name: 2-(dimethylaminomethyl)-1-(3-methylsulfanylphenyl)-4-phenylmethoxycyclohexan-1-ol hydrochloride Traditional Name: 4-benzoxy-2-(dimethylaminomethyl)-1-[3-(methylthio)phenyl]cyclohexanol hydrochloride Formula: C23H32ClNO2S MolecularWeight: 422.02368

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CC(CCC1(C2=CC(=CC=C2)SC)O)OCC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC1CC(CCC1(C2=CC(=CC=C2)SC)O)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C23H31NO2S.ClH/c1-24(2)16-20-14-21(26-17-18-8-5-4-6-9-18)12-13-23(20,25)19-10-7-11-22(15-19)27-3;/h4-11,15,20-21,25H,12-14,16-17H2,1-3H3;1H