N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C22H28F3N4O2S+ MolecularWeight: 469.54353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)[NH+]4CCOCC4

InChI

InChI=1S/C22H27F3N4O2S/c23-22(24,25)20-27-17-7-3-2-6-16(17)19(28-20)32-14-18(30)26-15-21(8-4-1-5-9-21)29-10-12-31-13-11-29/h2-3,6-7H,1,4-5,8-15H2,(H,26,30)/p+1