(3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol CAS Name: (3R,4R)-1-[[3-(methylthio)phenyl]methyl]-4-(4-phenethyl-1-piperazinyl)-3-piperidinol IUPAC Name: (3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-[3-(methylthio)benzyl]-4-(4-phenethylpiperazino)piperidin-3-ol Formula: C25H35N3OS MolecularWeight: 425.6299

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CCC(C(C2)O)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CC[C@H]([C@@H](C2)O)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H35N3OS/c1-30-23-9-5-8-22(18-23)19-27-13-11-24(25(29)20-27)28-16-14-26(15-17-28)12-10-21-6-3-2-4-7-21/h2-9,18,24-25,29H,10-17,19-20H2,1H3/t24-,25-/m1/s1