ethyl 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C13H16ClF3N3O2+ MolecularWeight: 338.73325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClF3N3O2/c1-2-22-12(21)20-5-3-19(4-6-20)11-10(14)7-9(8-18-11)13(15,16)17/h7-8H,2-6H2,1H3/p+1