[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 4-bromanylbenzenesulfonate

Systemtic Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 4-bromanylbenzenesulfonate Openeye Name: [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methyl] ester IUPAC Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] ester Formula: C25H25BrN2O3S MolecularWeight: 513.4466

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H25BrN2O3S/c1-2-17-16-28-14-12-18(17)15-24(28)25(22-11-13-27-23-6-4-3-5-21(22)23)31-32(29,30)20-9-7-19(26)8-10-20/h2-11,13,17-18,24-25H,1,12,14-16H2