diethyl 2-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]pentanedioate Openeye Name: diethyl 2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]pentanedioate CAS Name: 2-[[(5-hydroxy-3-pyridin-1-iumyl)-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]pentanedioate Traditional Name: 2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]glutaric acid diethyl ester Formula: C15H21N2O6+ MolecularWeight: 325.33704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=C[NH+]=C1)O

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=C[NH+]=C1)O

InChI

InChI=1S/C15H20N2O6/c1-3-22-13(19)6-5-12(15(21)23-4-2)17-14(20)10-7-11(18)9-16-8-10/h7-9,12,18H,3-6H2,1-2H3,(H,17,20)/p+1