[2-(3-bromanylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-bromanylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-bromopyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-bromo-1-pyridin-1-iumyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-bromopyridin-1-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-bromopyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C7H11BrNO7P2+ MolecularWeight: 363.016262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10BrNO7P2/c8-6-2-1-3-9(4-6)5-7(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H3-,11,12,13,14,15,16)/p+1