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

Systemtic Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-ethyl-prop-2-enamide Openeye Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-ethyl-prop-2-enamide CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-ethyl-2-propenamide IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-ethylprop-2-enamide Traditional Name: (E)-3-[2-(4-tert-butylphenoxy)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-ethyl-acrylamide Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(=CC1=C(NC2=C(C=CC=[N+]2C1=O)C)OC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CCNC(=O)/C(=C/C1=C(NC2=C(C=CC=[N+]2C1=O)C)OC3=CC=C(C=C3)C(C)(C)C)/C#N

InChI

InChI=1S/C25H26N4O3/c1-6-27-22(30)17(15-26)14-20-23(28-21-16(2)8-7-13-29(21)24(20)31)32-19-11-9-18(10-12-19)25(3,4)5/h7-14H,6H2,1-5H3,(H,27,30)/p+1/b17-14+