N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C19H27F3N3O2S+ MolecularWeight: 418.49679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H26F3N3O2S/c1-18(2,3)23-16(26)12-24-7-9-25(10-8-24)17(27)13-28-15-6-4-5-14(11-15)19(20,21)22/h4-6,11H,7-10,12-13H2,1-3H3,(H,23,26)/p+1