[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] ester Formula: C30H32NO4+ MolecularWeight: 470.57938

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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)CCCOC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCOC6=CC=CC=C6

InChI

InChI=1S/C30H32NO4/c32-28(30(33)26-13-6-4-11-24(26)25-12-5-7-14-27(25)30)35-29-15-19-31(20-16-29,21-17-29)18-8-22-34-23-9-2-1-3-10-23/h1-7,9-14,33H,8,15-22H2/q+1