ethyl 1-ethylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 1-ethylpyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 1-ethylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-ethylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethylpyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C10H14INO2 MolecularWeight: 307.12813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14NO2.HI/c1-3-11-7-5-6-9(8-11)10(12)13-4-2;/h5-8H,3-4H2,1-2H3;1H/q+1;/p-1