[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9,10-dihydroanthracene-9-carboxylate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9,10-dihydroanthracene-9-carboxylate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-2-yl] 9,10-dihydroanthracene-9-carboxylate CAS Name: 9,10-dihydroanthracene-9-carboxylic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 9,10-dihydroanthracene-9-carboxylate Traditional Name: 9,10-dihydroanthracene-9-carboxylic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-2-yl] ester Formula: C31H34NO3+ MolecularWeight: 468.60656

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35)CCCOC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35)CCCOC6=CC=CC=C6

InChI

InChI=1S/C31H34NO3/c33-31(30-27-13-6-4-9-24(27)22-25-10-5-7-14-28(25)30)35-29-21-23-15-18-32(29,19-16-23)17-8-20-34-26-11-2-1-3-12-26/h1-7,9-14,23,29-30H,8,15-22H2/q+1