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

Systemtic Name: [(3R)-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [(3R)-1-(2-hydroxyethyl)quinuclidin-1-ium-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic 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] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [(3R)-1-(2-hydroxyethyl)quinuclidin-1-ium-3-yl] ester Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CCO

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CCO

InChI

InChI=1S/C23H26NO4/c25-14-13-24-11-9-16(10-12-24)21(15-24)28-23(26)22-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22/h1-8,16,21-22,25H,9-15H2/q+1/t16?,21-,24?/m0/s1