[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [1-(2-phenoxyethyl)quinuclidin-1-ium-4-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [1-(2-phenoxyethyl)quinuclidin-1-ium-4-yl] ester Formula: C29H30NO4+ MolecularWeight: 456.5528

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCOC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCOC6=CC=CC=C6

InChI

InChI=1S/C29H30NO4/c31-27(29(32)25-12-6-4-10-23(25)24-11-5-7-13-26(24)29)34-28-14-17-30(18-15-28,19-16-28)20-21-33-22-8-2-1-3-9-22/h1-13,32H,14-21H2/q+1