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

Systemtic Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-2-(phenylthio)ethanone Formula: C23H29FN3OS+ MolecularWeight: 414.559263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3OS/c24-19-8-10-20(11-9-19)25-13-15-26(16-14-25)21-5-4-12-27(17-21)23(28)18-29-22-6-2-1-3-7-22/h1-3,6-11,21H,4-5,12-18H2/p+1/t21-/m0/s1