2-[4-(2-tert-butylsulfanylethanoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(2-tert-butylsulfanylethanoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(2-tert-butylsulfanylacetyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[2-(tert-butylthio)-1-oxoethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(2-tert-butylsulfanylacetyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-[2-(tert-butylthio)acetyl]piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C19H27F3N3O3S+ MolecularWeight: 434.49619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC(C)(C)SCC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C19H26F3N3O3S/c1-18(2,3)29-13-17(27)25-10-8-24(9-11-25)12-16(26)23-14-4-6-15(7-5-14)28-19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)/p+1