(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate bromide CAS Name: 9H-xanthene-9-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate bromide Traditional Name: 9H-xanthene-9-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C23H26BrNO3 MolecularWeight: 444.36144

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C.[Br-]

InChI

InChI=1S/C23H26NO3.BrH/c1-24(2)15-11-12-16(24)14-17(13-15)26-23(25)22-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)22;/h3-10,15-17,22H,11-14H2,1-2H3;1H/q+1;/p-1