[(3R)-1-(3-oxidanylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylxanthene-9-carboxylate

Systemtic Name: [(3R)-1-(3-oxidanylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylxanthene-9-carboxylate Openeye Name: [(3R)-1-(3-hydroxypropyl)quinuclidin-1-ium-3-yl] 9-hydroxyxanthene-9-carboxylate CAS Name: 9-hydroxy-9-xanthenecarboxylic acid [(3R)-1-(3-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(3-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9-hydroxyxanthene-9-carboxylate Traditional Name: 9-hydroxyxanthene-9-carboxylic acid [(3R)-1-(3-hydroxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C24H28NO5+ MolecularWeight: 410.48282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)CCCO

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)CCCO

InChI

InChI=1S/C24H28NO5/c26-15-5-12-25-13-10-17(11-14-25)22(16-25)30-23(27)24(28)18-6-1-3-8-20(18)29-21-9-4-2-7-19(21)24/h1-4,6-9,17,22,26,28H,5,10-16H2/q+1/t17?,22-,25?/m0/s1