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

Systemtic Name: sodium [2-(3-ethylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: sodium [2-(3-ethylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: sodium [2-(3-ethyl-1-pyridin-1-iumyl)-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: sodium [2-(3-ethylpyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: sodium [2-(3-ethylpyridin-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C9H15NNaO6P2+ MolecularWeight: 318.155792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-].[Na+]

Isomeric SMILES

CCC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-].[Na+]

InChI

InChI=1S/C9H15NO6P2.Na/c1-2-8-4-3-5-10(6-8)7-9(17(11,12)13)18(14,15)16;/h3-6,9H,2,7H2,1H3,(H3-,11,12,13,14,15,16);/q;+1