N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-(trifluoromethylsulfanyl)benzamide

Systemtic Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-(trifluoromethylsulfanyl)benzamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-(trifluoromethylsulfanyl)benzamide CAS Name: N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-(trifluoromethylthio)benzamide IUPAC Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethylsulfanyl)benzamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-(trifluoromethylthio)benzamide Formula: C20H22F3N2O2S+ MolecularWeight: 411.46109

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C20H21F3N2O2S/c21-20(22,23)28-17-8-6-16(7-9-17)19(26)24-18(15-4-2-1-3-5-15)14-25-10-12-27-13-11-25/h1-9,18H,10-14H2,(H,24,26)/p+1/t18-/m0/s1