dimethyl 5-(4-morpholin-4-ylpyridin-1-ium-2-yl)carbonyloxybenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(4-morpholin-4-ylpyridin-1-ium-2-yl)carbonyloxybenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(4-morpholinopyridin-1-ium-2-carbonyl)oxybenzene-1,3-dicarboxylate CAS Name: 5-[[4-(4-morpholinyl)-2-pyridin-1-iumyl]-oxomethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-morpholin-4-ylpyridin-1-ium-2-carbonyl)oxybenzene-1,3-dicarboxylate Traditional Name: 5-(4-morpholinopyridin-1-ium-2-carbonyl)oxybenzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21N2O7+ MolecularWeight: 401.38994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C20H20N2O7/c1-26-18(23)13-9-14(19(24)27-2)11-16(10-13)29-20(25)17-12-15(3-4-21-17)22-5-7-28-8-6-22/h3-4,9-12H,5-8H2,1-2H3/p+1