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

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-methyl-amino]ethyl 4-chloranylbenzoate Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-methyl-amino]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-methylamino]ethyl ester IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-methylamino]ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-methyl-amino]ethyl ester Formula: C16H14Cl2F3N2O2+ MolecularWeight: 394.19577

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC=C(C=C1)Cl)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CN(CCOC(=O)C1=CC=C(C=C1)Cl)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C16H13Cl2F3N2O2/c1-23(14-13(18)8-11(9-22-14)16(19,20)21)6-7-25-15(24)10-2-4-12(17)5-3-10/h2-5,8-9H,6-7H2,1H3/p+1