ethyl 4-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]butanoate

Systemtic Name: ethyl 4-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]butanoate Openeye Name: ethyl 4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butanoate CAS Name: 4-[[(5-hydroxy-3-pyridin-1-iumyl)-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butanoate Traditional Name: 4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butyric acid ethyl ester Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)C1=CC(=C[NH+]=C1)O

Isomeric SMILES

CCOC(=O)CCCNC(=O)C1=CC(=C[NH+]=C1)O

InChI

InChI=1S/C12H16N2O4/c1-2-18-11(16)4-3-5-14-12(17)9-6-10(15)8-13-7-9/h6-8,15H,2-5H2,1H3,(H,14,17)/p+1