2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C25H23F3N5O2S+ MolecularWeight: 514.54263

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)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H22F3N5O2S/c26-25(27,28)35-18-9-7-17(8-10-18)29-22(34)16-32-11-13-33(14-12-32)24-19-4-1-2-5-20(19)30-23(31-24)21-6-3-15-36-21/h1-10,15H,11-14,16H2,(H,29,34)/p+1