1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]-2-(4-pyridylthio)ethanone Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c27-22(18-28-21-8-10-23-11-9-21)26-12-4-7-20(17-26)25-15-13-24(14-16-25)19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-18H2/p+1/t20-/m0/s1