(1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 9-oxidanylxanthene-9-carboxylate bromide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 9-oxidanylxanthene-9-carboxylate bromide Openeye Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 9-hydroxyxanthene-9-carboxylate bromide CAS Name: 9-hydroxy-9-xanthenecarboxylic acid (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) ester bromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 9-hydroxyxanthene-9-carboxylate bromide Traditional Name: 9-hydroxyxanthene-9-carboxylic acid (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) ester bromide Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(C1)(CC2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O.[Br-]

Isomeric SMILES

C[N+]12CCC(C1)(CC2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O.[Br-]

InChI

InChI=1S/C21H22NO4.BrH/c1-22-12-10-20(14-22,11-13-22)26-19(23)21(24)15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)21;/h2-9,24H,10-14H2,1H3;1H/q+1;/p-1