(3S)-N-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]-1-methyl-pyrrolidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]-1-methyl-pyrrolidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-pyrrolidin-1-ium-3-carboxamide CAS Name: (3S)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-3-pyrrolidin-1-iumcarboxamide IUPAC Name: (3S)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-fluoro-5-(trifluoromethyl)benzyl]-1-methyl-pyrrolidin-1-ium-3-carboxamide Formula: C14H17F4N2O+ MolecularWeight: 305.291193

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1)C(=O)NCC2=CC(=CC(=C2)F)C(F)(F)F

Isomeric SMILES

C[NH+]1CC[C@@H](C1)C(=O)NCC2=CC(=CC(=C2)F)C(F)(F)F

InChI

InChI=1S/C14H16F4N2O/c1-20-3-2-10(8-20)13(21)19-7-9-4-11(14(16,17)18)6-12(15)5-9/h4-6,10H,2-3,7-8H2,1H3,(H,19,21)/p+1/t10-/m0/s1