dimethyl 5-[(2-morpholin-4-ylpyridin-1-ium-3-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-morpholin-4-ylpyridin-1-ium-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-morpholinopyridin-1-ium-3-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(4-morpholinyl)-3-pyridin-1-iumyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-morpholin-4-ylpyridin-1-ium-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-morpholinopyridin-1-ium-3-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N3O6+ MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-27-19(25)13-10-14(20(26)28-2)12-15(11-13)22-18(24)16-4-3-5-21-17(16)23-6-8-29-9-7-23/h3-5,10-12H,6-9H2,1-2H3,(H,22,24)/p+1