methyl (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(4-tert-butylphenoxy)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-acrylic acid methyl ester Formula: C24H24N3O4+ MolecularWeight: 418.46506

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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)OC)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)/C=C(\C#N)/C(=O)OC)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H23N3O4/c1-15-7-6-12-27-20(15)26-21(19(22(27)28)13-16(14-25)23(29)30-5)31-18-10-8-17(9-11-18)24(2,3)4/h6-13H,1-5H3/p+1/b16-13+