diethyl 1-ethylpyridin-1-ium-3,5-dicarboxylate iodide

Systemtic Name: diethyl 1-ethylpyridin-1-ium-3,5-dicarboxylate iodide Openeye Name: diethyl 1-ethylpyridin-1-ium-3,5-dicarboxylate iodide CAS Name: 1-ethylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester iodide IUPAC Name: diethyl 1-ethylpyridin-1-ium-3,5-dicarboxylate iodide Traditional Name: 1-ethylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester iodide Formula: C13H18INO4 MolecularWeight: 379.19079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO4.HI/c1-4-14-8-10(12(15)17-5-2)7-11(9-14)13(16)18-6-3;/h7-9H,4-6H2,1-3H3;1H/q+1;/p-1