(E)-2-cyano-3-[9-methyl-2-(4-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-(4-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-(4-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-(4-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-(4-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-(4-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=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)NCC=C

Isomeric SMILES

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

InChI

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