N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide Formula: C20H28F3N2O2S+ MolecularWeight: 417.50873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=CC=CC(=C2)C(F)(F)F)[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=CC=CC(=C2)C(F)(F)F)[NH+]3CCOCC3

InChI

InChI=1S/C20H27F3N2O2S/c21-20(22,23)16-5-4-6-17(13-16)28-14-18(26)24-15-19(7-2-1-3-8-19)25-9-11-27-12-10-25/h4-6,13H,1-3,7-12,14-15H2,(H,24,26)/p+1