2-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C22H22F3N4O3S+ MolecularWeight: 479.49529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H21F3N4O3S/c23-22(24,25)32-17-5-3-16(4-6-17)26-19(30)15-27-10-12-29(13-11-27)21(31)20-18(7-14-33-20)28-8-1-2-9-28/h1-9,14H,10-13,15H2,(H,26,30)/p+1