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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3OS/c21-17-6-8-18(9-7-17)24-13-11-23(12-14-24)16-20(25)22-10-15-26-19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25)/p+1