(E)-3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-methyl-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-methyl-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-N-methyl-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-methyl-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-methylprop-2-enamide Traditional Name: (E)-3-[2-(4-tert-butylphenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-methyl-acrylamide Formula: C23H23N4O3+ MolecularWeight: 403.45372

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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(=O)NC

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)NC

InChI

InChI=1S/C23H22N4O3/c1-23(2,3)16-8-10-17(11-9-16)30-21-18(13-15(14-24)20(28)25-4)22(29)27-12-6-5-7-19(27)26-21/h5-13H,1-4H3,(H,25,28)/p+1/b15-13+