ethyl 5-cyano-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-(4-methylsulfonyl-1-piperazinyl)-2-(trifluoromethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-6-(4-mesylpiperazino)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C15H18F3N4O4S+ MolecularWeight: 407.38803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C15H17F3N4O4S/c1-3-26-14(23)11-8-10(9-19)13(20-12(11)15(16,17)18)21-4-6-22(7-5-21)27(2,24)25/h8H,3-7H2,1-2H3/p+1