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

Systemtic Name: (E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-2-cyano-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[9-methyl-2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-2-cyano-3-[4-keto-9-methyl-2-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]pyrimidin-3-yl]acrylamide Formula: C21H25N6O2+ MolecularWeight: 393.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC=C)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCC=C)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H24N6O2/c1-4-7-23-20(28)16(14-22)13-17-19(26-11-9-25(3)10-12-26)24-18-15(2)6-5-8-27(18)21(17)29/h4-6,8,13H,1,7,9-12H2,2-3H3,(H,23,28)/p+1/b16-13+