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

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 9-oxidanylxanthene-9-carboxylate Openeye Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 9-hydroxyxanthene-9-carboxylate CAS Name: 9-hydroxy-9-xanthenecarboxylic acid (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) ester IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 9-hydroxyxanthene-9-carboxylate Traditional Name: 9-hydroxyxanthene-9-carboxylic acid (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) ester Formula: C21H22NO4+ MolecularWeight: 352.40368

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO4/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/q+1