[1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methyl] furan-2-carboxylate

Systemtic Name: [1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methyl] furan-2-carboxylate Openeye Name: [1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [1,3-benzodioxol-5-yl(1-isoquinolin-2-iumyl)methyl] ester IUPAC Name: [1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [1,3-benzodioxol-5-yl(isoquinolin-2-ium-1-yl)methyl] ester Formula: C22H16NO5+ MolecularWeight: 374.36614

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=[NH+]C=CC4=CC=CC=C43)OC(=O)C5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=[NH+]C=CC4=CC=CC=C43)OC(=O)C5=CC=CO5

InChI

InChI=1S/C22H15NO5/c24-22(18-6-3-11-25-18)28-21(15-7-8-17-19(12-15)27-13-26-17)20-16-5-2-1-4-14(16)9-10-23-20/h1-12,21H,13H2/p+1