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

Systemtic Name: 2-[(2S)-5-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]ethyl-prop-2-enyl-azanium Openeye Name: allyl-[2-[(2S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]ethyl]ammonium CAS Name: 2-[(2S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinyl]ethyl-prop-2-enylammonium IUPAC Name: 2-[(2S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]ethyl-prop-2-enylazanium Traditional Name: allyl-[2-[(2S)-5-keto-1-[2-(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=C2C(F)(F)F

Isomeric SMILES

C=CC[NH2+]CC[C@@H]1CCC(=O)N1CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H21F3N2O/c1-2-10-21-11-9-14-7-8-16(23)22(14)12-13-5-3-4-6-15(13)17(18,19)20/h2-6,14,21H,1,7-12H2/p+1/t14-/m0/s1