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

Systemtic Name: 2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-[3-(3-thienyl)propanoyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1-oxo-3-(3-thiophenyl)propyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-[3-(3-thienyl)propanoyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C20H23F3N3O2S+ MolecularWeight: 426.47573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)CCC3=CSC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)CCC3=CSC=C3

InChI

InChI=1S/C20H22F3N3O2S/c21-20(22,23)16-3-1-2-4-17(16)24-18(27)13-25-8-10-26(11-9-25)19(28)6-5-15-7-12-29-14-15/h1-4,7,12,14H,5-6,8-11,13H2,(H,24,27)/p+1