(E)-3-[2-(4-bromanylphenoxy)-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-bromanylphenoxy)-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-bromophenoxy)-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-bromophenoxy)-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-bromophenoxy)-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-bromophenoxy)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-ethyl-acrylamide Formula: C21H18BrN4O3+ MolecularWeight: 454.29662

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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)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O3/c1-3-24-19(27)14(12-23)11-17-20(29-16-8-6-15(22)7-9-16)25-18-13(2)5-4-10-26(18)21(17)28/h4-11H,3H2,1-2H3,(H,24,27)/p+1/b14-11+