ethyl 1-methylpyridin-1-ium-4-carboxylate iodide

Systemtic Name: ethyl 1-methylpyridin-1-ium-4-carboxylate iodide Openeye Name: ethyl 1-methylpyridin-1-ium-4-carboxylate iodide CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-methylpyridin-1-ium-4-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid ethyl ester iodide Formula: C9H12INO2 MolecularWeight: 293.10155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO2.HI/c1-3-12-9(11)8-4-6-10(2)7-5-8;/h4-7H,3H2,1-2H3;1H/q+1;/p-1