(E)-2-cyano-3-[2-(3-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-[2-(3-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-[2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(3-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-[2-(3-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-2-(3-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylamide Formula: C22H19N4O3+ MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-3-10-24-20(27)16(14-23)13-18-21(29-17-8-6-7-15(2)12-17)25-19-9-4-5-11-26(19)22(18)28/h3-9,11-13H,1,10H2,2H3,(H,24,27)/p+1/b16-13+