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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H24N4O2S/c1-17(27)18-6-8-19(9-7-18)26-13-11-25(12-14-26)16-22(28)24-20-4-2-3-5-21(20)29-15-10-23/h2-9H,11-16H2,1H3,(H,24,28)/p+1