2-[(2S)-5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]ethyl-prop-2-enyl-azanium

Systemtic Name: 2-[(2S)-5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]ethyl-prop-2-enyl-azanium Openeye Name: allyl-[2-[(2S)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]ethyl]ammonium CAS Name: 2-[(2S)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinyl]ethyl-prop-2-enylammonium IUPAC Name: 2-[(2S)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]ethyl-prop-2-enylazanium Traditional Name: allyl-[2-[(2S)-5-keto-1-[3-(trifluoromethyl)benzyl]pyrrolidin-2-yl]ethyl]ammonium Formula: C17H22F3N2O+ MolecularWeight: 327.36459

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]CCC1CCC(=O)N1CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C=CC[NH2+]CC[C@@H]1CCC(=O)N1CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O/c1-2-9-21-10-8-15-6-7-16(23)22(15)12-13-4-3-5-14(11-13)17(18,19)20/h2-5,11,15,21H,1,6-10,12H2/p+1/t15-/m0/s1