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

Systemtic Name: 2-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]ethanone CAS Name: 2-[4-(methylthio)phenyl]-1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]ethanone IUPAC Name: 2-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Traditional Name: 2-[4-(methylthio)phenyl]-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]ethanone Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3OS/c1-29-23-11-9-20(10-12-23)18-24(28)27-13-5-8-22(19-27)26-16-14-25(15-17-26)21-6-3-2-4-7-21/h2-4,6-7,9-12,22H,5,8,13-19H2,1H3/p+1/t22-/m0/s1