(E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[4-keto-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-acrylamide Formula: C25H28N6O2+2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O2/c1-29-13-15-30(16-14-29)23-21(25(33)31-12-6-5-9-22(31)28-23)17-20(18-26)24(32)27-11-10-19-7-3-2-4-8-19/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,32)/p+2/b20-17+