methyl 4-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate

Systemtic Name: methyl 4-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate Openeye Name: methyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate CAS Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate Traditional Name: 4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butyric acid methyl ester Formula: C11H13ClF3N2O2+ MolecularWeight: 297.68133

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)CCCNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl

InChI

InChI=1S/C11H12ClF3N2O2/c1-19-9(18)3-2-4-16-10-8(12)5-7(6-17-10)11(13,14)15/h5-6H,2-4H2,1H3,(H,16,17)/p+1