(E)-2-cyano-3-[9-methyl-2-(2-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[9-methyl-2-(2-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-2-cyano-3-[9-methyl-2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[9-methyl-2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[9-methyl-2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-2-cyano-3-[4-keto-9-methyl-2-(2-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylamide Formula: C23H21N4O3+ MolecularWeight: 401.43784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=C(C#N)C(=O)NCC=C)OC3=CC=CC=C3C

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)/C=C(\C#N)/C(=O)NCC=C)OC3=CC=CC=C3C

InChI

InChI=1S/C23H20N4O3/c1-4-11-25-21(28)17(14-24)13-18-22(30-19-10-6-5-8-15(19)2)26-20-16(3)9-7-12-27(20)23(18)29/h4-10,12-13H,1,11H2,2-3H3,(H,25,28)/p+1/b17-13+