[(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylfluorene-9-carboxylate bromide

Systemtic Name: [(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylfluorene-9-carboxylate bromide Openeye Name: [(3R)-1-heptylquinuclidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate bromide CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] 9-hydroxyfluorene-9-carboxylate bromide Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(3R)-1-heptylquinuclidin-1-ium-3-yl] ester bromide Formula: C28H36BrNO3 MolecularWeight: 514.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]12CCC(CC1)C(C2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O.[Br-]

Isomeric SMILES

CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O.[Br-]

InChI

InChI=1S/C28H36NO3.BrH/c1-2-3-4-5-10-17-29-18-15-21(16-19-29)26(20-29)32-27(30)28(31)24-13-8-6-11-22(24)23-12-7-9-14-25(23)28;/h6-9,11-14,21,26,31H,2-5,10,15-20H2,1H3;1H/q+1;/p-1/t21?,26-,29?;/m0./s1