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

Systemtic Name: (2S)-3-oxidanylidene-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butanenitrile Openeye Name: (2S)-3-oxo-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butanenitrile CAS Name: (2S)-3-oxo-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)butanenitrile IUPAC Name: (2S)-3-oxo-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butanenitrile Traditional Name: (2S)-3-keto-2-(2,4,6-triphenylpyridin-1-ium-1-yl)butyronitrile Formula: C27H21N2O+ MolecularWeight: 389.46844

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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

Isomeric SMILES

CC(=O)[C@H](C#N)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H21N2O/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/q+1/t27-/m0/s1