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

Systemtic Name: [(3R)-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylxanthene-9-carboxylate Openeye Name: [(3R)-1-(2-hydroxyethyl)quinuclidin-1-ium-3-yl] 9-hydroxyxanthene-9-carboxylate CAS Name: 9-hydroxy-9-xanthenecarboxylic acid [(3R)-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9-hydroxyxanthene-9-carboxylate Traditional Name: 9-hydroxyxanthene-9-carboxylic acid [(3R)-1-(2-hydroxyethyl)quinuclidin-1-ium-3-yl] ester Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26NO5/c25-14-13-24-11-9-16(10-12-24)21(15-24)29-22(26)23(27)17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)23/h1-8,16,21,25,27H,9-15H2/q+1/t16?,21-,24?/m0/s1