tert-butyl [1-methyl-1-(2-methylpropyl)-6-oxidanylidene-pyridazin-1-ium-3-yl] hydrogen phosphate

Systemtic Name: tert-butyl [1-methyl-1-(2-methylpropyl)-6-oxidanylidene-pyridazin-1-ium-3-yl] hydrogen phosphate Openeye Name: tert-butyl (1-isobutyl-1-methyl-6-oxo-pyridazin-1-ium-3-yl) hydrogen phosphate CAS Name: tert-butyl [1-methyl-1-(2-methylpropyl)-6-oxo-3-pyridazin-1-iumyl] hydrogen phosphate IUPAC Name: tert-butyl [1-methyl-1-(2-methylpropyl)-6-oxopyridazin-1-ium-3-yl] hydrogen phosphate Traditional Name: tert-butyl (1-isobutyl-6-keto-1-methyl-pyridazin-1-ium-3-yl) hydrogen phosphate Formula: C13H24N2O5P+ MolecularWeight: 319.313821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1(C(=O)C=CC(=N1)OP(=O)(O)OC(C)(C)C)C

Isomeric SMILES

CC(C)C[N+]1(C(=O)C=CC(=N1)OP(=O)(O)OC(C)(C)C)C

InChI

InChI=1S/C13H23N2O5P/c1-10(2)9-15(6)12(16)8-7-11(14-15)19-21(17,18)20-13(3,4)5/h7-8,10H,9H2,1-6H3/p+1