N-(3-cyanothiophen-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H18FN4OS+ MolecularWeight: 345.414423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C3=CC=CC=C3F

InChI

InChI=1S/C17H17FN4OS/c18-14-3-1-2-4-15(14)22-8-6-21(7-9-22)12-16(23)20-17-13(11-19)5-10-24-17/h1-5,10H,6-9,12H2,(H,20,23)/p+1