ethyl (Z)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[2-(4-ethyl-1-piperazin-4-iumyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylic acid ethyl ester Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(/C#N)\C(=O)OCC

InChI

InChI=1S/C21H25N5O3/c1-4-24-9-11-25(12-10-24)19-17(13-16(14-22)21(28)29-5-2)20(27)26-8-6-7-15(3)18(26)23-19/h6-8,13H,4-5,9-12H2,1-3H3/p+1/b16-13-