3-oxidanylidene-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butanenitrile iodide

Systemtic Name: 3-oxidanylidene-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butanenitrile iodide Openeye Name: 3-oxo-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butanenitrile iodide CAS Name: 3-oxo-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)butanenitrile iodide IUPAC Name: 3-oxo-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butanenitrile iodide Traditional Name: 3-keto-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butyronitrile iodide Formula: C27H21IN2O MolecularWeight: 516.37291

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC(=O)C(C#N)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H21N2O.HI/c1-20(30)27(19-28)29-25(22-13-7-3-8-14-22)17-24(21-11-5-2-6-12-21)18-26(29)23-15-9-4-10-16-23;/h2-18,27H,1H3;1H/q+1;/p-1