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

Systemtic Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [(3R)-quinuclidin-1-ium-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(3R)-quinuclidin-1-ium-3-yl] ester Formula: C13H17BrNO3S+ MolecularWeight: 347.24798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c14-11-1-3-12(4-2-11)19(16,17)18-13-9-15-7-5-10(13)6-8-15/h1-4,10,13H,5-9H2/p+1/t13-/m0/s1