1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-2-(phenylthio)ethanone Formula: C23H29ClN3OS+ MolecularWeight: 431.01386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H28ClN3OS/c24-19-6-4-7-20(16-19)25-12-14-26(15-13-25)21-8-5-11-27(17-21)23(28)18-29-22-9-2-1-3-10-22/h1-4,6-7,9-10,16,21H,5,8,11-15,17-18H2/p+1/t21-/m0/s1