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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22FN4OS+ MolecularWeight: 385.478283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4OS/c21-16-5-7-17(8-6-16)25-12-10-24(11-13-25)15-20(26)23-18-3-1-2-4-19(18)27-14-9-22/h1-8H,10-15H2,(H,23,26)/p+1