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

Systemtic Name: (E)-2-cyano-3-[2-(4-ethylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(4-ethylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-ethylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(4-ethylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[2-(4-ethylphenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylamide Formula: C20H17N4O3+ MolecularWeight: 361.37398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C20H16N4O3/c1-2-13-6-8-15(9-7-13)27-19-16(11-14(12-21)18(22)25)20(26)24-10-4-3-5-17(24)23-19/h3-11H,2H2,1H3,(H2,22,25)/p+1/b14-11+