1-azoniabicyclo[2.2.2]octan-3-yl 3-fluoranylbenzoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 3-fluoranylbenzoate chloride Openeye Name: quinuclidin-1-ium-3-yl 3-fluorobenzoate chloride CAS Name: 3-fluorobenzoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 3-fluorobenzoate chloride Traditional Name: 3-fluorobenzoic acid quinuclidin-1-ium-3-yl ester chloride Formula: C14H17ClFNO2 MolecularWeight: 285.741683

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)C3=CC(=CC=C3)F.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(C2)OC(=O)C3=CC(=CC=C3)F.[Cl-]

InChI

InChI=1S/C14H16FNO2.ClH/c15-12-3-1-2-11(8-12)14(17)18-13-9-16-6-4-10(13)5-7-16;/h1-3,8,10,13H,4-7,9H2;1H