[phosphono-(pyridin-1-ium-3-ylamino)methyl]phosphonic acid

Systemtic Name: [phosphono-(pyridin-1-ium-3-ylamino)methyl]phosphonic acid Openeye Name: [phosphono-(pyridin-1-ium-3-ylamino)methyl]phosphonic acid CAS Name: [phosphono-(3-pyridin-1-iumylamino)methyl]phosphonic acid IUPAC Name: [phosphono-(pyridin-1-ium-3-ylamino)methyl]phosphonic acid Traditional Name: [phosphono-(pyridin-1-ium-3-ylamino)methyl]phosphonic acid Formula: C6H11N2O6P2+ MolecularWeight: 269.108862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=C[NH+]=C1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H10N2O6P2/c9-15(10,11)6(16(12,13)14)8-5-2-1-3-7-4-5/h1-4,6,8H,(H2,9,10,11)(H2,12,13,14)/p+1