methyl (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: methyl (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: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H24N5O3+ MolecularWeight: 382.43626

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-4-23-8-10-24(11-9-23)18-16(12-15(13-21)20(27)28-3)19(26)25-7-5-6-14(2)17(25)22-18/h5-7,12H,4,8-11H2,1-3H3/p+1/b15-12-