2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)-3-methyl-butanoic acid

Systemtic Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)-3-methyl-butanoic acid Openeye Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)-3-methyl-butanoic acid CAS Name: 2-(4,6-dimethoxy-1-methylsulfonyl-2-pyrimidin-1-iumyl)-3-methylbutanoic acid IUPAC Name: 2-(4,6-dimethoxy-1-methylsulfonylpyrimidin-1-ium-2-yl)-3-methylbutanoic acid Traditional Name: 2-(1-mesyl-4,6-dimethoxy-pyrimidin-1-ium-2-yl)-3-methyl-butyric acid Formula: C12H19N2O6S+ MolecularWeight: 319.35406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC(=CC(=[N+]1S(=O)(=O)C)OC)OC)C(=O)O

Isomeric SMILES

CC(C)C(C1=NC(=CC(=[N+]1S(=O)(=O)C)OC)OC)C(=O)O

InChI

InChI=1S/C12H18N2O6S/c1-7(2)10(12(15)16)11-13-8(19-3)6-9(20-4)14(11)21(5,17)18/h6-7,10H,1-5H3/p+1