3-[(3R,4S)-1-(2-cyclohexylsulfanylethyl)-3,4-dimethyl-piperidin-2-yl]phenol

Systemtic Name: 3-[(3R,4S)-1-(2-cyclohexylsulfanylethyl)-3,4-dimethyl-piperidin-2-yl]phenol Openeye Name: 3-[(3R,4S)-1-(2-cyclohexylsulfanylethyl)-3,4-dimethyl-2-piperidyl]phenol CAS Name: 3-[(3R,4S)-1-[2-(cyclohexylthio)ethyl]-3,4-dimethyl-2-piperidinyl]phenol IUPAC Name: 3-[(3R,4S)-1-(2-cyclohexylsulfanylethyl)-3,4-dimethylpiperidin-2-yl]phenol Traditional Name: 3-[(3R,4S)-1-[2-(cyclohexylthio)ethyl]-3,4-dimethyl-2-piperidyl]phenol Formula: C21H33NOS MolecularWeight: 347.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1C)C2=CC(=CC=C2)O)CCSC3CCCCC3

Isomeric SMILES

C[C@H]1CCN(C([C@@H]1C)C2=CC(=CC=C2)O)CCSC3CCCCC3

InChI

InChI=1S/C21H33NOS/c1-16-11-12-22(13-14-24-20-9-4-3-5-10-20)21(17(16)2)18-7-6-8-19(23)15-18/h6-8,15-17,20-21,23H,3-5,9-14H2,1-2H3/t16-,17+,21?/m0/s1