[(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylxanthene-9-carboxylate bromide

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylxanthene-9-carboxylate bromide Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] 9-hydroxyxanthene-9-carboxylate bromide CAS Name: 9-hydroxy-9-xanthenecarboxylic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 9-hydroxyxanthene-9-carboxylate bromide Traditional Name: 9-hydroxyxanthene-9-carboxylic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester bromide Formula: C24H26BrNO4 MolecularWeight: 472.37154

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]12CCC(CC1)C(C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O.[Br-]

Isomeric SMILES

C=CC[N+]12CCC(CC1)[C@H](C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O.[Br-]

InChI

InChI=1S/C24H26NO4.BrH/c1-2-13-25-14-11-17(12-15-25)22(16-25)29-23(26)24(27)18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)24;/h2-10,17,22,27H,1,11-16H2;1H/q+1;/p-1/t17?,22-,25?;/m0./s1