2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-18(26)19-7-9-20(10-8-19)25-14-12-24(13-15-25)17-22(27)23-11-16-28-21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,23,27)/p+1