[(3R)-1-[2-(1,3-dioxolan-2-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [(3R)-1-[2-(1,3-dioxolan-2-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(3R)-1-[2-(1,3-dioxolan-2-yl)ethyl]quinuclidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [(3R)-1-[2-(1,3-dioxolan-2-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-[2-(1,3-dioxolan-2-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(3R)-1-[2-(1,3-dioxolan-2-yl)ethyl]quinuclidin-1-ium-3-yl] ester Formula: C26H30NO5+ MolecularWeight: 436.5201

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCC6OCCO6

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCC6OCCO6

InChI

InChI=1S/C26H30NO5/c28-25(26(29)21-7-3-1-5-19(21)20-6-2-4-8-22(20)26)32-23-17-27(12-9-18(23)10-13-27)14-11-24-30-15-16-31-24/h1-8,18,23-24,29H,9-17H2/q+1/t18?,23-,27?/m0/s1