2-[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]sulfanyl-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]sulfanyl-3,3-dimethyl-butanoic acid Openeye Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]sulfanyl-3,3-dimethyl-butanoic acid CAS Name: 2-[[1-(dimethylsulfamoyl)-4,6-dimethoxy-2-pyrimidin-1-iumyl]thio]-3,3-dimethylbutanoic acid IUPAC Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxypyrimidin-1-ium-2-yl]sulfanyl-3,3-dimethylbutanoic acid Traditional Name: 2-[[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]thio]-3,3-dimethyl-butyric acid Formula: C14H24N3O6S2+ MolecularWeight: 394.48686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)N(C)C)OC)OC

Isomeric SMILES

CC(C)(C)C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)N(C)C)OC)OC

InChI

InChI=1S/C14H23N3O6S2/c1-14(2,3)11(12(18)19)24-13-15-9(22-6)8-10(23-7)17(13)25(20,21)16(4)5/h8,11H,1-7H3/p+1