ethyl (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: ethyl (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: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C19H22N5O3+ MolecularWeight: 368.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-3-27-19(26)14(13-20)12-15-17(23-10-8-22(2)9-11-23)21-16-6-4-5-7-24(16)18(15)25/h4-7,12H,3,8-11H2,1-2H3/p+1/b14-12+