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

Systemtic Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclohexyl-3-[4-keto-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylamide Formula: C23H30N6O2+2 MolecularWeight: 422.5233

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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)NC4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)NC4CCCCC4

InChI

InChI=1S/C23H28N6O2/c1-27-11-13-28(14-12-27)21-19(23(31)29-10-6-5-9-20(29)26-21)15-17(16-24)22(30)25-18-7-3-2-4-8-18/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3,(H,25,30)/p+2/b17-15+