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

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate bromide Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] 9H-xanthene-9-carboxylate bromide CAS Name: 9H-xanthene-9-carboxylic 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] 9H-xanthene-9-carboxylate bromide Traditional Name: 9H-xanthene-9-carboxylic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester bromide Formula: C24H26BrNO3 MolecularWeight: 456.37214

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]12CCC(CC1)C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.[Br-]

Isomeric SMILES

C=CC[N+]12CCC(CC1)[C@H](C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.[Br-]

InChI

InChI=1S/C24H26NO3.BrH/c1-2-13-25-14-11-17(12-15-25)22(16-25)28-24(26)23-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)23;/h2-10,17,22-23H,1,11-16H2;1H/q+1;/p-1/t17?,22-,25?;/m0./s1