sodium [2-(3-bromanylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: sodium [2-(3-bromanylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: sodium [2-(3-bromopyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: sodium [2-(3-bromo-1-pyridin-1-iumyl)-1-hydroxy-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: sodium [2-(3-bromopyridin-1-ium-1-yl)-1-hydroxy-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: sodium [2-(3-bromopyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C7H10BrNNaO7P2+ MolecularWeight: 384.998092

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C7H10BrNO7P2.Na/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);/q;+1