(E)-3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-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-prop-2-enamide Openeye Name: (E)-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-2-propenamide IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[2-(4-tert-butylphenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-acrylamide Formula: C22H21N4O3+ MolecularWeight: 389.42714

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)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(=O)N

InChI

InChI=1S/C22H20N4O3/c1-22(2,3)15-7-9-16(10-8-15)29-20-17(12-14(13-23)19(24)27)21(28)26-11-5-4-6-18(26)25-20/h4-12H,1-3H3,(H2,24,27)/p+1/b14-12+