ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C16H18INO2 MolecularWeight: 383.22409

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCC.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCC.[I-]

InChI

InChI=1S/C16H18NO2.HI/c1-3-17-11-10-14(13-8-6-5-7-9-13)15(12-17)16(18)19-4-2;/h5-12H,3-4H2,1-2H3;1H/q+1;/p-1