(3S)-N-(4-methylsulfanylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide

Systemtic Name: (3S)-N-(4-methylsulfanylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Openeye Name: (3S)-N-(4-methylsulfanylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide CAS Name: (3S)-N-[4-(methylthio)phenyl]-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-(4-methylsulfanylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Traditional Name: (3S)-N-[4-(methylthio)phenyl]-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4OS/c1-29-22-11-9-19(10-12-22)24-23(28)27-13-5-8-21(18-27)26-16-14-25(15-17-26)20-6-3-2-4-7-20/h2-4,6-7,9-12,21H,5,8,13-18H2,1H3,(H,24,28)/p+1/t21-/m0/s1