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

Systemtic Name: [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylxanthene-9-carboxylate Openeye Name: [(3R)-1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 9-hydroxyxanthene-9-carboxylate CAS Name: 9-hydroxy-9-xanthenecarboxylic acid [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9-hydroxyxanthene-9-carboxylate Traditional Name: 9-hydroxyxanthene-9-carboxylic acid [(3R)-1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C30H32NO5+ MolecularWeight: 486.57878

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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)CCCOC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)CCCOC6=CC=CC=C6

InChI

InChI=1S/C30H32NO5/c32-29(30(33)24-11-4-6-13-26(24)35-27-14-7-5-12-25(27)30)36-28-21-31(18-15-22(28)16-19-31)17-8-20-34-23-9-2-1-3-10-23/h1-7,9-14,22,28,33H,8,15-21H2/q+1/t22?,28-,31?/m0/s1