1-azabicyclo[2.2.2]octan-3-yl 4-bromanylbenzenesulfonate hydrochloride

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 4-bromanylbenzenesulfonate hydrochloride Openeye Name: quinuclidin-3-yl 4-bromobenzenesulfonate hydrochloride CAS Name: 4-bromobenzenesulfonic acid 1-azabicyclo[2.2.2]octan-3-yl ester hydrochloride IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 4-bromobenzenesulfonate hydrochloride Traditional Name: 4-bromobenzenesulfonic acid quinuclidin-3-yl ester hydrochloride Formula: C13H17BrClNO3S MolecularWeight: 382.70098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OS(=O)(=O)C3=CC=C(C=C3)Br.Cl

Isomeric SMILES

C1CN2CCC1C(C2)OS(=O)(=O)C3=CC=C(C=C3)Br.Cl

InChI

InChI=1S/C13H16BrNO3S.ClH/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;1H