(2S)-1-[[2,3-bis(fluoranyl)phenyl]methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[2,3-bis(fluoranyl)phenyl]methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2,3-difluorophenyl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2,3-difluorophenyl)methyl]-N-phenyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2,3-difluorophenyl)methyl]-N-phenylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(2,3-difluorobenzyl)-N-phenyl-pyrrolidin-1-ium-2-carboxamide Formula: C18H19F2N2O+ MolecularWeight: 317.353066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C(=CC=C2)F)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=C(C(=CC=C2)F)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H18F2N2O/c19-15-9-4-6-13(17(15)20)12-22-11-5-10-16(22)18(23)21-14-7-2-1-3-8-14/h1-4,6-9,16H,5,10-12H2,(H,21,23)/p+1/t16-/m0/s1