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

Systemtic Name: (4-methanoyl-6-methyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-yl)methyl dihydrogen phosphate Openeye Name: (4-formyl-5-hydroxy-6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl dihydrogen phosphate CAS Name: (4-formyl-5-hydroxy-6-methyl-1-oxido-3-pyridin-1-iumyl)methyl dihydrogen phosphate IUPAC Name: (4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-1-ium-3-yl)methyl dihydrogen phosphate Traditional Name: (4-formyl-5-hydroxy-6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl dihydrogen phosphate Formula: C8H10NO7P MolecularWeight: 263.141261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)