N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-(trifluoromethylthio)benzamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-4-(trifluoromethylthio)benzamide Formula: C20H22F3N2O2S+ MolecularWeight: 411.46109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C20H21F3N2O2S/c21-20(22,23)28-18-7-5-15(6-8-18)19(26)24-13-16-3-1-2-4-17(16)14-25-9-11-27-12-10-25/h1-8H,9-14H2,(H,24,26)/p+1