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

Systemtic Name: 4-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]butanoate Openeye Name: 4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butanoate CAS Name: 4-[[(5-hydroxy-3-pyridin-1-iumyl)-oxomethyl]amino]butanoate IUPAC Name: 4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butanoate Traditional Name: 4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butyrate Formula: C10H12N2O4 MolecularWeight: 224.21328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[NH+]C=C1O)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=C(C=[NH+]C=C1O)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C10H12N2O4/c13-8-4-7(5-11-6-8)10(16)12-3-1-2-9(14)15/h4-6,13H,1-3H2,(H,12,16)(H,14,15)