[(2Z,3R)-2-[(2-fluorophenyl)methylidene]-1-azoniabicyclo[2.2.2]octan-3-yl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [(2Z,3R)-2-[(2-fluorophenyl)methylidene]-1-azoniabicyclo[2.2.2]octan-3-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [(2Z,3R)-2-[(2-fluorophenyl)methylene]quinuclidin-1-ium-3-yl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [(2Z,3R)-2-[(2-fluorophenyl)methylidene]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(2Z,3R)-2-[(2-fluorophenyl)methylidene]-1-azoniabicyclo[2.2.2]octan-3-yl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [(2Z,3R)-2-(2-fluorobenzylidene)quinuclidin-1-ium-3-yl] ester Formula: C21H19F3NO2+ MolecularWeight: 374.37627

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2=CC3=CC=CC=C3F)OC(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1C[NH+]\2CCC1[C@H](/C2=C/C3=CC=CC=C3F)OC(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C21H18F3NO2/c22-15-5-2-1-4-14(15)12-18-20(13-8-10-25(18)11-9-13)27-21(26)19-16(23)6-3-7-17(19)24/h1-7,12-13,20H,8-11H2/p+1/b18-12-/t20-/m1/s1