ethyl 4-[3,4,6-tris(chloranyl)-5-cyano-pyridin-1-ium-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3,4,6-tris(chloranyl)-5-cyano-pyridin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-(3,4,6-trichloro-5-cyano-pyridin-1-ium-2-yl)piperazine-1-carboxylate CAS Name: 4-(3,4,6-trichloro-5-cyano-2-pyridin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4,6-trichloro-5-cyanopyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3,4,6-trichloro-5-cyano-pyridin-1-ium-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C13H14Cl3N4O2+ MolecularWeight: 364.63486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=C(C(=[NH+]2)Cl)C#N)Cl)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=C(C(=[NH+]2)Cl)C#N)Cl)Cl

InChI

InChI=1S/C13H13Cl3N4O2/c1-2-22-13(21)20-5-3-19(4-6-20)12-10(15)9(14)8(7-17)11(16)18-12/h2-6H2,1H3/p+1