2-(dimethylaminomethyl)-1-(3-methyl-2-sulfanyl-phenyl)-4-phenylmethoxy-cyclohexan-1-ol hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-1-(3-methyl-2-sulfanyl-phenyl)-4-phenylmethoxy-cyclohexan-1-ol hydrochloride Openeye Name: 4-benzyloxy-2-(dimethylaminomethyl)-1-(3-methyl-2-sulfanyl-phenyl)cyclohexanol hydrochloride CAS Name: 2-(dimethylaminomethyl)-1-(2-mercapto-3-methylphenyl)-4-phenylmethoxy-1-cyclohexanol hydrochloride IUPAC Name: 2-(dimethylaminomethyl)-1-(3-methyl-2-sulfanylphenyl)-4-phenylmethoxycyclohexan-1-ol hydrochloride Traditional Name: 4-benzoxy-2-(dimethylaminomethyl)-1-(2-mercapto-3-methyl-phenyl)cyclohexanol hydrochloride Formula: C23H32ClNO2S MolecularWeight: 422.02368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1S)C2(CCC(CC2CN(C)C)OCC3=CC=CC=C3)O.Cl

Isomeric SMILES

CC1=CC=CC(=C1S)C2(CCC(CC2CN(C)C)OCC3=CC=CC=C3)O.Cl

InChI

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