[2-(4-azanylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4-azanylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-aminopyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-amino-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-aminopyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-aminopyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C7H13N2O6P2+ MolecularWeight: 283.135442

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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)/p+1