2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl cyclobutanecarboxylate

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl cyclobutanecarboxylate Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid 2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl ester IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl ester Formula: C13H15ClF3N2O2+ MolecularWeight: 323.71861

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1CC(C1)C(=O)OCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H14ClF3N2O2/c14-10-6-9(13(15,16)17)7-19-11(10)18-4-5-21-12(20)8-2-1-3-8/h6-8H,1-5H2,(H,18,19)/p+1