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

Systemtic Name: [1-(4-phenoxybutyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [1-(4-phenoxybutyl)quinuclidin-1-ium-2-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [1-(4-phenoxybutyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(4-phenoxybutyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [1-(4-phenoxybutyl)quinuclidin-1-ium-2-yl] ester Formula: C31H34NO4+ MolecularWeight: 484.60596

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCCOC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCCOC6=CC=CC=C6

InChI

InChI=1S/C31H34NO4/c33-30(31(34)27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)36-29-22-23-16-19-32(29,20-17-23)18-8-9-21-35-24-10-2-1-3-11-24/h1-7,10-15,23,29,34H,8-9,16-22H2/q+1