bis(1-methyl-3-oxidanyl-pyridin-1-ium-4-yl) hydrogen phosphate

Systemtic Name: bis(1-methyl-3-oxidanyl-pyridin-1-ium-4-yl) hydrogen phosphate Openeye Name: bis(3-hydroxy-1-methyl-pyridin-1-ium-4-yl) hydrogen phosphate CAS Name: bis(3-hydroxy-1-methyl-4-pyridin-1-iumyl) hydrogen phosphate IUPAC Name: bis(3-hydroxy-1-methylpyridin-1-ium-4-yl) hydrogen phosphate Traditional Name: bis(3-hydroxy-1-methyl-pyridin-1-ium-4-yl) hydrogen phosphate Formula: C12H15N2O6P+2 MolecularWeight: 314.231061

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C=C1)OP(=O)(O)OC2=C(C=[N+](C=C2)C)O)O

Isomeric SMILES

C[N+]1=CC(=C(C=C1)OP(=O)(O)OC2=C(C=[N+](C=C2)C)O)O

InChI

InChI=1S/C12H13N2O6P/c1-13-5-3-11(9(15)7-13)19-21(17,18)20-12-4-6-14(2)8-10(12)16/h3-8H,1-2H3,(H-2,15,16,17,18)/p+2