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

Systemtic Name: methyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: methyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid methyl ester iodide Formula: C15H16INO2 MolecularWeight: 369.19751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2.HI/c1-3-16-10-9-13(12-7-5-4-6-8-12)14(11-16)15(17)18-2;/h4-11H,3H2,1-2H3;1H/q+1;/p-1