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

Systemtic Name: [4-(aminomethyl)-6-methyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-yl]methyl dihydrogen phosphate Openeye Name: [4-(aminomethyl)-5-hydroxy-6-methyl-1-oxido-pyridin-1-ium-3-yl]methyl dihydrogen phosphate CAS Name: [4-(aminomethyl)-5-hydroxy-6-methyl-1-oxido-3-pyridin-1-iumyl]methyl dihydrogen phosphate IUPAC Name: [4-(aminomethyl)-5-hydroxy-6-methyl-1-oxidopyridin-1-ium-3-yl]methyl dihydrogen phosphate Traditional Name: [4-(aminomethyl)-5-hydroxy-6-methyl-1-oxido-pyridin-1-ium-3-yl]methyl dihydrogen phosphate Formula: C8H13N2O6P MolecularWeight: 264.172381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N2O6P/c1-5-8(11)7(2-9)6(3-10(5)12)4-16-17(13,14)15/h3,11H,2,4,9H2,1H3,(H2,13,14,15)