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

Systemtic Name: methyl 5-[[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C16H15ClF3N2O3+ MolecularWeight: 375.75011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)OC

InChI

InChI=1S/C16H14ClF3N2O3/c1-24-13-4-3-9(5-11(13)15(23)25-2)7-21-14-12(17)6-10(8-22-14)16(18,19)20/h3-6,8H,7H2,1-2H3,(H,21,22)/p+1