1-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazino)piperidino]-2-(phenylthio)ethanone Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2O)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O2S/c1-19-9-11-20(12-10-19)16-7-8-21(13-17(16)22)18(23)14-24-15-5-3-2-4-6-15/h2-6,16-17,22H,7-14H2,1H3/t16-,17-/m1/s1