[4-(aminomethyl)-1,6-dimethyl-5-oxidanylidene-2,6-dihydropyridin-3-yl]methyl dihydrogen phosphate

Systemtic Name: [4-(aminomethyl)-1,6-dimethyl-5-oxidanylidene-2,6-dihydropyridin-3-yl]methyl dihydrogen phosphate Openeye Name: [4-(aminomethyl)-1,6-dimethyl-5-oxo-2,6-dihydropyridin-3-yl]methyl dihydrogen phosphate CAS Name: [4-(aminomethyl)-1,6-dimethyl-5-oxo-2,6-dihydropyridin-3-yl]methyl dihydrogen phosphate IUPAC Name: [4-(aminomethyl)-1,6-dimethyl-5-oxo-2,6-dihydropyridin-3-yl]methyl dihydrogen phosphate Traditional Name: [4-(aminomethyl)-5-keto-1,6-dimethyl-2,6-dihydropyridin-3-yl]methyl dihydrogen phosphate Formula: C9H17N2O5P MolecularWeight: 264.215441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(CN1C)COP(=O)(O)O)CN

Isomeric SMILES

CC1C(=O)C(=C(CN1C)COP(=O)(O)O)CN

InChI

InChI=1S/C9H17N2O5P/c1-6-9(12)8(3-10)7(4-11(6)2)5-16-17(13,14)15/h6H,3-5,10H2,1-2H3,(H2,13,14,15)