2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C22H21F3N3O2S+ MolecularWeight: 448.48125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H20F3N3O2S/c23-22(24,25)16-6-2-3-7-17(16)26-20(29)14-27-9-11-28(12-10-27)21(30)19-13-15-5-1-4-8-18(15)31-19/h1-8,13H,9-12,14H2,(H,26,29)/p+1