[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9-oxidanylxanthene-9-carboxylate

Systemtic Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9-oxidanylxanthene-9-carboxylate Openeye Name: [1-(2-phenoxyethyl)quinuclidin-1-ium-2-yl] 9-hydroxyxanthene-9-carboxylate CAS Name: 9-hydroxy-9-xanthenecarboxylic acid [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9-hydroxyxanthene-9-carboxylate Traditional Name: 9-hydroxyxanthene-9-carboxylic acid [1-(2-phenoxyethyl)quinuclidin-1-ium-2-yl] ester Formula: C29H30NO5+ MolecularWeight: 472.5522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)CCOC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)CCOC6=CC=CC=C6

InChI

InChI=1S/C29H30NO5/c31-28(29(32)23-10-4-6-12-25(23)34-26-13-7-5-11-24(26)29)35-27-20-21-14-16-30(27,17-15-21)18-19-33-22-8-2-1-3-9-22/h1-13,21,27,32H,14-20H2/q+1