(2S)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C12H13ClF3N2O+ MolecularWeight: 293.69263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C12H12ClF3N2O/c13-7-3-4-9(8(6-7)12(14,15)16)18-11(19)10-2-1-5-17-10/h3-4,6,10,17H,1-2,5H2,(H,18,19)/p+1/t10-/m0/s1