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

Systemtic Name: methyl (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-keto-2-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]pyrimidin-3-yl]acrylic acid methyl ester Formula: C18H20N5O3+ MolecularWeight: 354.3831

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C18H19N5O3/c1-21-7-9-22(10-8-21)16-14(11-13(12-19)18(25)26-2)17(24)23-6-4-3-5-15(23)20-16/h3-6,11H,7-10H2,1-2H3/p+1/b13-11+