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

Systemtic Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)-3-methyl-pentanoic acid Openeye Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)-3-methyl-pentanoic acid CAS Name: 2-(4,6-dimethoxy-1-methylsulfonyl-2-pyrimidin-1-iumyl)-3-methylpentanoic acid IUPAC Name: 2-(4,6-dimethoxy-1-methylsulfonylpyrimidin-1-ium-2-yl)-3-methylpentanoic acid Traditional Name: 2-(1-mesyl-4,6-dimethoxy-pyrimidin-1-ium-2-yl)-3-methyl-valeric acid Formula: C13H21N2O6S+ MolecularWeight: 333.38064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O6S/c1-6-8(2)11(13(16)17)12-14-9(20-3)7-10(21-4)15(12)22(5,18)19/h7-8,11H,6H2,1-5H3/p+1