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

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-ethylxanthene-9-carboxylate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-ethylxanthene-9-carboxylate bromide CAS Name: 9-ethyl-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-ethylxanthene-9-carboxylate bromide Traditional Name: 9-ethylxanthene-9-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) ester bromide Formula: C25H28BrNO3 MolecularWeight: 470.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CC5C=CC(C4)[N+]5(C)C.[Br-]

Isomeric SMILES

CCC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CC5C=CC(C4)[N+]5(C)C.[Br-]

InChI

InChI=1S/C25H28NO3.BrH/c1-4-25(24(27)28-19-15-17-13-14-18(16-19)26(17,2)3)20-9-5-7-11-22(20)29-23-12-8-6-10-21(23)25;/h5-14,17-19H,4,15-16H2,1-3H3;1H/q+1;/p-1