1-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(hydroxymethyl)-4-phenethyl-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(hydroxymethyl)-4-phenethyl-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(hydroxymethyl)-4-phenethylpiperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-(4-methylol-4-phenethyl-piperidino)-2-(phenylthio)ethanone Formula: C22H27NO2S MolecularWeight: 369.52028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CCC2=CC=CC=C2)CO)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(CCC2=CC=CC=C2)CO)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H27NO2S/c24-18-22(12-11-19-7-3-1-4-8-19)13-15-23(16-14-22)21(25)17-26-20-9-5-2-6-10-20/h1-10,24H,11-18H2