2-[[2-(4-tert-butylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[2-(4-tert-butylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylene]propanedinitrile CAS Name: 2-[[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]propanedinitrile IUPAC Name: 2-[[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[2-(4-tert-butylphenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylene]malononitrile Formula: C22H19N4O2+ MolecularWeight: 371.41186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C#N

InChI

InChI=1S/C22H18N4O2/c1-22(2,3)16-7-9-17(10-8-16)28-20-18(12-15(13-23)14-24)21(27)26-11-5-4-6-19(26)25-20/h4-12H,1-3H3/p+1