(E)-2-cyano-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-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-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-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-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-3-[4-keto-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylamide Formula: C17H20N6O2+2 MolecularWeight: 340.3797

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2/c1-21-6-8-22(9-7-21)16-13(10-12(11-18)15(19)24)17(25)23-5-3-2-4-14(23)20-16/h2-5,10H,6-9H2,1H3,(H2,19,24)/p+2/b12-10+