diethyl 4-oxidanylidene-8-(1-oxidanylpyridin-1-ium-4-yl)-8-azoniabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate

Systemtic Name: diethyl 4-oxidanylidene-8-(1-oxidanylpyridin-1-ium-4-yl)-8-azoniabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate Openeye Name: diethyl 8-(1-hydroxypyridin-1-ium-4-yl)-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate CAS Name: 8-(1-hydroxy-4-pyridin-1-iumyl)-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 8-(1-hydroxypyridin-1-ium-4-yl)-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate Traditional Name: 8-(1-hydroxypyridin-1-ium-4-yl)-4-keto-8-azoniabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid diethyl ester Formula: C18H22N2O6+2 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2C=CC(=O)C(C1C(=O)OCC)[NH+]2C3=CC=[N+](C=C3)O

Isomeric SMILES

CCOC(=O)C1C2C=CC(=O)C(C1C(=O)OCC)[NH+]2C3=CC=[N+](C=C3)O

InChI

InChI=1S/C18H21N2O6/c1-3-25-17(22)14-12-5-6-13(21)16(15(14)18(23)26-4-2)20(12)11-7-9-19(24)10-8-11/h5-10,12,14-16,24H,3-4H2,1-2H3/q+1/p+1