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

Systemtic Name: 2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-[4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-(1-oxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-[4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C21H25F3N3O3S+ MolecularWeight: 456.50171

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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)CCCC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H24F3N3O3S/c22-21(23,24)30-17-8-6-16(7-9-17)25-19(28)15-26-10-12-27(13-11-26)20(29)5-1-3-18-4-2-14-31-18/h2,4,6-9,14H,1,3,5,10-13,15H2,(H,25,28)/p+1