2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile; 1-docosylpyridin-1-ium

Systemtic Name: 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile; 1-docosylpyridin-1-ium Openeye Name: 2-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile; 1-docosylpyridin-1-ium CAS Name: 2-[4-(dicyanomethylidene)-1-cyclohexa-2,5-dienylidene]propanedinitrile; 1-docosylpyridin-1-ium IUPAC Name: 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile; 1-docosylpyridin-1-ium Traditional Name: 1-behenylpyridin-1-ium; 2-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]malononitrile Formula: C39H54N5+ MolecularWeight: 592.87956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N

InChI

InChI=1S/C27H50N.C12H4N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28;13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h21,23-24,26-27H,2-20,22,25H2,1H3;1-4H/q+1;