2-methylsulfanyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-methylsulfanyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]ethanone Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)-1-piperidyl]-2-methylsulfanyl-ethanone CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazin-4-iumyl)-1-piperidinyl]-2-(methylthio)ethanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]-2-methylsulfanylethanone Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidino]-2-(methylthio)ethanone Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(C(C1)O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CC[C@H]([C@@H](C1)O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O2S/c1-26-16-20(25)23-10-8-18(19(24)15-23)22-13-11-21(12-14-22)9-7-17-5-3-2-4-6-17/h2-6,18-19,24H,7-16H2,1H3/p+1/t18-,19-/m1/s1