(E)-2-cyano-3-[2-(5-methyl-2-propan-2-yl-phenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2-(5-methyl-2-propan-2-yl-phenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(2-isopropyl-5-methyl-phenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[2-(2-isopropyl-5-methyl-phenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylamide Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-13(2)16-8-7-14(3)10-18(16)29-21-17(11-15(12-23)20(24)27)22(28)26-9-5-4-6-19(26)25-21/h4-11,13H,1-3H3,(H2,24,27)/p+1/b15-11+