[1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-4-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-4-yl] ester Formula: C28H30NO3S+ MolecularWeight: 460.6077

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCC6=CC=CS6

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCC6=CC=CS6

InChI

InChI=1S/C28H30NO3S/c30-26(28(31)24-11-3-1-9-22(24)23-10-2-4-12-25(23)28)32-27-13-17-29(18-14-27,19-15-27)16-5-7-21-8-6-20-33-21/h1-4,6,8-12,20,31H,5,7,13-19H2/q+1