2-[4-(2-thiophen-3-ylethanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-thiophen-3-ylethanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-[2-(3-thienyl)acetyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-[2-(3-thienyl)acetyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C19H21F3N3O2S+ MolecularWeight: 412.44915

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)CC3=CSC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)CC3=CSC=C3

InChI

InChI=1S/C19H20F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-17(26)12-24-6-8-25(9-7-24)18(27)11-14-5-10-28-13-14/h1-5,10,13H,6-9,11-12H2,(H,23,26)/p+1