9-[[1-[(E)-3-phenylprop-1-enyl]-1-azoniabicyclo[2.2.2]octan-4-yl]oxycarbonyl]fluoren-9-olate

Systemtic Name: 9-[[1-[(E)-3-phenylprop-1-enyl]-1-azoniabicyclo[2.2.2]octan-4-yl]oxycarbonyl]fluoren-9-olate Openeye Name: 9-[1-[(E)-3-phenylprop-1-enyl]quinuclidin-1-ium-4-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[oxo-[[1-[(E)-3-phenylprop-1-enyl]-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]methyl]-9-fluorenolate IUPAC Name: 9-[[1-[(E)-3-phenylprop-1-enyl]-1-azoniabicyclo[2.2.2]octan-4-yl]oxycarbonyl]fluoren-9-olate Traditional Name: 9-[1-[(E)-3-phenylprop-1-enyl]quinuclidin-1-ium-4-yl]oxycarbonylfluoren-9-olate Formula: C30H29NO3 MolecularWeight: 451.55616

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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-])C=CCC6=CC=CC=C6

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)[O-])/C=C/CC6=CC=CC=C6

InChI

InChI=1S/C30H29NO3/c32-28(30(33)26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)34-29-16-20-31(21-17-29,22-18-29)19-8-11-23-9-2-1-3-10-23/h1-10,12-15,19H,11,16-18,20-22H2/b19-8+