5-[(2-azanylpyridin-1-ium-3-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(2-azanylpyridin-1-ium-3-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(2-aminopyridin-1-ium-3-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(2-amino-3-pyridin-1-iumyl)amino]-5-oxopentanoate IUPAC Name: 5-[(2-aminopyridin-1-ium-3-yl)amino]-5-oxopentanoate Traditional Name: 5-[(2-aminopyridin-1-ium-3-yl)amino]-5-keto-valerate Formula: C10H13N3O3 MolecularWeight: 223.22852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)N)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C([NH+]=C1)N)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C10H13N3O3/c11-10-7(3-2-6-12-10)13-8(14)4-1-5-9(15)16/h2-3,6H,1,4-5H2,(H2,11,12)(H,13,14)(H,15,16)