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

Systemtic Name: 2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(2-thiophen-2-ylacetyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C19H21F3N3O3S+ MolecularWeight: 428.44855

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)CC3=CC=CS3

InChI

InChI=1S/C19H20F3N3O3S/c20-19(21,22)28-15-5-3-14(4-6-15)23-17(26)13-24-7-9-25(10-8-24)18(27)12-16-2-1-11-29-16/h1-6,11H,7-10,12-13H2,(H,23,26)/p+1