[2-(4-azanylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-(4-azanylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: [2-(4-aminopyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: [2-(4-amino-1-pyridin-1-iumyl)-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: [2-(4-aminopyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-(4-aminopyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C7H12N2O6P2 MolecularWeight: 282.127502

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1N)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1N)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C7H12N2O6P2/c8-6-1-3-9(4-2-6)5-7(16(10,11)12)17(13,14)15/h1-4,7-8H,5H2,(H4,10,11,12,13,14,15)