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

Systemtic Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-methyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-methyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-ethyl-1-piperazin-4-iumyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-methyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-methylprop-2-enamide Traditional Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-methyl-acrylamide Formula: C20H26N6O2+2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O2/c1-4-24-8-10-25(11-9-24)18-16(12-15(13-21)19(27)22-3)20(28)26-7-5-6-14(2)17(26)23-18/h5-7,12H,4,8-11H2,1-3H3,(H,22,27)/p+2/b15-12+