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

Systemtic Name: ethyl (E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[9-methyl-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-[9-methyl-2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[9-methyl-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-9-methyl-2-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]pyrimidin-3-yl]acrylic acid ethyl ester Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N=C2C(=CC=CN2C1=O)C)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CC[NH+](CC3)C)/C#N

InChI

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