(2-methoxycarbonylphenyl) 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: (2-methoxycarbonylphenyl) 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: (2-methoxycarbonylphenyl) 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (2-methoxycarbonylphenyl) ester iodide IUPAC Name: (2-methoxycarbonylphenyl) 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid (2-carbomethoxyphenyl) ester iodide Formula: C15H14INO4 MolecularWeight: 399.18043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C(=O)OC.[I-]

InChI

InChI=1S/C15H14NO4.HI/c1-16-9-5-6-11(10-16)14(17)20-13-8-4-3-7-12(13)15(18)19-2;/h3-10H,1-2H3;1H/q+1;/p-1