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

Systemtic Name: (E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-(2-methoxyethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-(2-methoxyethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-(2-methoxyethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-(2-methoxyethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-(2-methoxyethyl)acrylamide Formula: C23H23N4O4+ MolecularWeight: 419.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)NCCOC)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)NCCOC)C

InChI

InChI=1S/C23H22N4O4/c1-15-7-6-8-19(16(15)2)31-22-18(13-17(14-24)21(28)25-10-12-30-3)23(29)27-11-5-4-9-20(27)26-22/h4-9,11,13H,10,12H2,1-3H3,(H,25,28)/p+1/b17-13+