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

Systemtic Name: (E)-2-cyano-N-ethyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-ethyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-ethyl-3-[2-(4-ethyl-1-piperazin-4-iumyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-ethyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-ethyl-3-[2-(4-ethylpiperazin-4-ium-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylamide Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-4-23-20(28)16(14-22)13-17-19(26-11-9-25(5-2)10-12-26)24-18-15(3)7-6-8-27(18)21(17)29/h6-8,13H,4-5,9-12H2,1-3H3,(H,23,28)/p+1/b16-13+