2-(6-azanyl-4-oxidanylidene-1,5-dihydroimidazo[4,5-c]pyridin-3-ium-3-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1,5-dihydroimidazo[4,5-c]pyridin-3-ium-3-yl)ethoxymethylphosphonic acid Openeye Name: 2-(6-amino-4-oxo-1,5-dihydroimidazo[4,5-c]pyridin-3-ium-3-yl)ethoxymethylphosphonic acid CAS Name: 2-(6-amino-4-oxo-1,5-dihydroimidazo[4,5-c]pyridin-3-ium-3-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(6-amino-4-oxo-1,5-dihydroimidazo[4,5-c]pyridin-3-ium-3-yl)ethoxymethylphosphonic acid Traditional Name: 2-(6-amino-4-keto-1,5-dihydroimidazo[4,5-c]pyridin-3-ium-3-yl)ethoxymethylphosphonic acid Formula: C9H14N4O5P+ MolecularWeight: 289.205021

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=O)C2=C1NC=[N+]2CCOCP(=O)(O)O)N

Isomeric SMILES

C1=C(NC(=O)C2=C1NC=[N+]2CCOCP(=O)(O)O)N

InChI

InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)13(4-11-6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H5,10,12,14,15,16,17)/p+1