(9,9-dimethyl-9-azoniabicyclo[3.3.1]non-6-en-3-yl) 9-oxidanylfluorene-9-carboxylate bromide

Systemtic Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]non-6-en-3-yl) 9-oxidanylfluorene-9-carboxylate bromide Openeye Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]non-6-en-3-yl) 9-hydroxyfluorene-9-carboxylate bromide CAS Name: 9-hydroxy-9-fluorenecarboxylic acid (9,9-dimethyl-9-azoniabicyclo[3.3.1]non-6-en-3-yl) ester bromide IUPAC Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]non-6-en-3-yl) 9-hydroxyfluorene-9-carboxylate bromide Traditional Name: 9-hydroxyfluorene-9-carboxylic acid (9,9-dimethyl-9-azoniabicyclo[3.3.1]non-6-en-3-yl) ester bromide Formula: C24H26BrNO3 MolecularWeight: 456.37214

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CC=CC1CC(C2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)C.[Br-]

Isomeric SMILES

C[N+]1(C2CC=CC1CC(C2)OC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)C.[Br-]

InChI

InChI=1S/C24H26NO3.BrH/c1-25(2)16-8-7-9-17(25)15-18(14-16)28-23(26)24(27)21-12-5-3-10-19(21)20-11-4-6-13-22(20)24;/h3-8,10-13,16-18,27H,9,14-15H2,1-2H3;1H/q+1;/p-1