(4-methanoyl-1,6-dimethyl-5-oxidanyl-pyridin-1-ium-3-yl)methyl dihydrogen phosphate

Systemtic Name: (4-methanoyl-1,6-dimethyl-5-oxidanyl-pyridin-1-ium-3-yl)methyl dihydrogen phosphate Openeye Name: (4-formyl-5-hydroxy-1,6-dimethyl-pyridin-1-ium-3-yl)methyl dihydrogen phosphate CAS Name: (4-formyl-5-hydroxy-1,6-dimethyl-3-pyridin-1-iumyl)methyl dihydrogen phosphate IUPAC Name: (4-formyl-5-hydroxy-1,6-dimethylpyridin-1-ium-3-yl)methyl dihydrogen phosphate Traditional Name: (4-formyl-5-hydroxy-1,6-dimethyl-pyridin-1-ium-3-yl)methyl dihydrogen phosphate Formula: C9H13NO6P+ MolecularWeight: 262.176381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1O)C=O)COP(=O)(O)O)C

Isomeric SMILES

CC1=[N+](C=C(C(=C1O)C=O)COP(=O)(O)O)C

InChI

InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1