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

Systemtic Name: N-tert-butyl-2-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H27F3N5O2S+ MolecularWeight: 470.53159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O2S/c1-20(2,3)27-16(30)12-28-8-10-29(11-9-28)17(31)13-32-18-14-6-4-5-7-15(14)25-19(26-18)21(22,23)24/h4-7H,8-13H2,1-3H3,(H,27,30)/p+1