(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-methylxanthene-9-carboxylate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-methylxanthene-9-carboxylate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-methylxanthene-9-carboxylate bromide CAS Name: 9-methyl-9-xanthenecarboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-methylxanthene-9-carboxylate bromide Traditional Name: 9-methylxanthene-9-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) ester bromide Formula: C24H26BrNO3 MolecularWeight: 456.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CC5C=CC(C4)[N+]5(C)C.[Br-]

Isomeric SMILES

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CC5C=CC(C4)[N+]5(C)C.[Br-]

InChI

InChI=1S/C24H26NO3.BrH/c1-24(23(26)27-18-14-16-12-13-17(15-18)25(16,2)3)19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)24;/h4-13,16-18H,14-15H2,1-3H3;1H/q+1;/p-1