[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [1-(3-phenylpropyl)quinuclidin-1-ium-2-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [1-(3-phenylpropyl)quinuclidin-1-ium-2-yl] ester Formula: C30H32NO3+ MolecularWeight: 454.57998

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCC6=CC=CC=C6

InChI

InChI=1S/C30H32NO3/c32-29(30(33)26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)34-28-21-23-16-19-31(28,20-17-23)18-8-11-22-9-2-1-3-10-22/h1-7,9-10,12-15,23,28,33H,8,11,16-21H2/q+1