3-cyclopropyl-2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)propanoic acid

Systemtic Name: 3-cyclopropyl-2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)propanoic acid Openeye Name: 3-cyclopropyl-2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)propanoic acid CAS Name: 3-cyclopropyl-2-(4,6-dimethoxy-1-methylsulfonyl-2-pyrimidin-1-iumyl)propanoic acid IUPAC Name: 3-cyclopropyl-2-(4,6-dimethoxy-1-methylsulfonylpyrimidin-1-ium-2-yl)propanoic acid Traditional Name: 3-cyclopropyl-2-(1-mesyl-4,6-dimethoxy-pyrimidin-1-ium-2-yl)propionic acid Formula: C13H19N2O6S+ MolecularWeight: 331.36476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=[N+](C(=N1)C(CC2CC2)C(=O)O)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=[N+](C(=N1)C(CC2CC2)C(=O)O)S(=O)(=O)C)OC

InChI

InChI=1S/C13H18N2O6S/c1-20-10-7-11(21-2)15(22(3,18)19)12(14-10)9(13(16)17)6-8-4-5-8/h7-9H,4-6H2,1-3H3/p+1