oxan-4-yl-[(3R)-5-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]azanium

Systemtic Name: oxan-4-yl-[(3R)-5-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]azanium Openeye Name: [(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-tetrahydropyran-4-yl-ammonium CAS Name: 4-oxanyl-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: oxan-4-yl-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]azanium Traditional Name: [(3R)-5-keto-1-[2-(trifluoromethyl)benzyl]pyrrolidin-3-yl]-tetrahydropyran-4-yl-ammonium Formula: C17H22F3N2O2+ MolecularWeight: 343.36399

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1[NH2+]C2CC(=O)N(C2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1COCCC1[NH2+][C@@H]2CC(=O)N(C2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H21F3N2O2/c18-17(19,20)15-4-2-1-3-12(15)10-22-11-14(9-16(22)23)21-13-5-7-24-8-6-13/h1-4,13-14,21H,5-11H2/p+1/t14-/m1/s1