[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-bromanylbenzoate

Systemtic Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-bromanylbenzoate Openeye Name: [(3R)-quinuclidin-1-ium-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(3R)-quinuclidin-1-ium-3-yl] ester Formula: C14H17BrNO2+ MolecularWeight: 311.19428

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H16BrNO2/c15-12-3-1-11(2-4-12)14(17)18-13-9-16-7-5-10(13)6-8-16/h1-4,10,13H,5-9H2/p+1/t13-/m0/s1