7-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]heptanoate

Systemtic Name: 7-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]heptanoate Openeye Name: 7-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]heptanoate CAS Name: 7-[[(5-hydroxy-3-pyridin-1-iumyl)-oxomethyl]amino]heptanoate IUPAC Name: 7-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]heptanoate Traditional Name: 7-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]enanthate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c16-11-7-10(8-14-9-11)13(19)15-6-4-2-1-3-5-12(17)18/h7-9,16H,1-6H2,(H,15,19)(H,17,18)