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

Systemtic Name: (E)-2-cyano-N-(2-methoxyethyl)-3-[2-(2-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-methoxyethyl)-3-[2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methoxyethyl)-3-[2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methoxyethyl)-3-[2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-keto-2-(2-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-(2-methoxyethyl)acrylamide Formula: C22H21N4O4+ MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)NCCOC

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)NCCOC

InChI

InChI=1S/C22H20N4O4/c1-15-7-3-4-8-18(15)30-21-17(13-16(14-23)20(27)24-10-12-29-2)22(28)26-11-6-5-9-19(26)25-21/h3-9,11,13H,10,12H2,1-2H3,(H,24,27)/p+1/b16-13+