methyl 1-ethylpyridin-1-ium-4-carboxylate iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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