N-tert-butyl-2-[4-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C18H26F3N4O2S+ MolecularWeight: 419.48485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25F3N4O2S/c1-17(2,3)23-14(26)11-24-6-8-25(9-7-24)16(27)12-28-15-5-4-13(10-22-15)18(19,20)21/h4-5,10H,6-9,11-12H2,1-3H3,(H,23,26)/p+1