[2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: [2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: [2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-hydroxy-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: [2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C9H16N2O7P2 MolecularWeight: 326.180062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O7P2/c1-10(2)8-3-5-11(6-4-8)7-9(12,19(13,14)15)20(16,17)18/h3-6,12H,7H2,1-2H3,(H3-,13,14,15,16,17,18)