(5R)-5-morpholin-4-ium-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-2-one

Systemtic Name: (5R)-5-morpholin-4-ium-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-2-one Openeye Name: (5R)-5-morpholin-4-ium-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-2-one CAS Name: (5R)-5-(4-morpholin-4-iumyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2-azepanone IUPAC Name: (5R)-5-morpholin-4-ium-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-2-one Traditional Name: (5R)-5-morpholin-4-ium-4-yl-1-[3-(trifluoromethyl)benzyl]azepan-2-one Formula: C18H24F3N2O2+ MolecularWeight: 357.39057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1[NH+]2CCOCC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1[NH+]2CCOCC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H23F3N2O2/c19-18(20,21)15-3-1-2-14(12-15)13-23-7-6-16(4-5-17(23)24)22-8-10-25-11-9-22/h1-3,12,16H,4-11,13H2/p+1/t16-/m1/s1