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

Systemtic Name: hexyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: hexyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid hexyl ester iodide IUPAC Name: hexyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid hexyl ester iodide Formula: C20H26INO2 MolecularWeight: 439.33041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26NO2.HI/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17;/h7-9,11-14,16H,3-6,10,15H2,1-2H3;1H/q+1;/p-1