(2S)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[2-chloro-5-(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=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClF3N2O/c13-8-4-3-7(12(14,15)16)6-10(8)18-11(19)9-2-1-5-17-9/h3-4,6,9,17H,1-2,5H2,(H,18,19)/p+1/t9-/m0/s1