diethyl 2-[(1-methylpyridin-1-ium-4-yl)methylidene]propanedioate iodide

Systemtic Name: diethyl 2-[(1-methylpyridin-1-ium-4-yl)methylidene]propanedioate iodide Openeye Name: diethyl 2-[(1-methylpyridin-1-ium-4-yl)methylene]propanedioate iodide CAS Name: 2-[(1-methyl-4-pyridin-1-iumyl)methylidene]propanedioic acid diethyl ester iodide IUPAC Name: diethyl 2-[(1-methylpyridin-1-ium-4-yl)methylidene]propanedioate iodide Traditional Name: 2-[(1-methylpyridin-1-ium-4-yl)methylene]malonic acid diethyl ester iodide Formula: C14H18INO4 MolecularWeight: 391.20149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=[N+](C=C1)C)C(=O)OCC.[I-]

Isomeric SMILES

CCOC(=O)C(=CC1=CC=[N+](C=C1)C)C(=O)OCC.[I-]

InChI

InChI=1S/C14H18NO4.HI/c1-4-18-13(16)12(14(17)19-5-2)10-11-6-8-15(3)9-7-11;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1