(E)-3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[2-(4-tert-butylphenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-acrylamide Formula: C25H25N4O3+ MolecularWeight: 429.491

Click to see the large picture

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(=O)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3/c1-5-13-27-22(30)17(16-26)15-20-23(28-21-8-6-7-14-29(21)24(20)31)32-19-11-9-18(10-12-19)25(2,3)4/h5-12,14-15H,1,13H2,2-4H3,(H,27,30)/p+1/b17-15+