ethyl 6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-5-cyano-2-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C19H18ClF3N5O3+ MolecularWeight: 456.82613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C19H17ClF3N5O3/c1-2-31-18(30)13-7-11(9-24)15(26-17(13)29)27-3-5-28(6-4-27)16-14(20)8-12(10-25-16)19(21,22)23/h7-8,10H,2-6H2,1H3,(H,26,29)/p+1