methyl 1-methylpyrimidin-1-ium-5-carboxylate iodide

Systemtic Name: methyl 1-methylpyrimidin-1-ium-5-carboxylate iodide Openeye Name: methyl 1-methylpyrimidin-1-ium-5-carboxylate iodide CAS Name: 1-methyl-5-pyrimidin-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 1-methylpyrimidin-1-ium-5-carboxylate iodide Traditional Name: 1-methylpyrimidin-1-ium-5-carboxylic acid methyl ester iodide Formula: C7H9IN2O2 MolecularWeight: 280.06303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CN=C1)C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC(=CN=C1)C(=O)OC.[I-]

InChI

InChI=1S/C7H9N2O2.HI/c1-9-4-6(3-8-5-9)7(10)11-2;/h3-5H,1-2H3;1H/q+1;/p-1