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

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl 4-methoxybenzoate Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl ester Formula: C16H15ClF3N2O3+ MolecularWeight: 375.75011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C16H14ClF3N2O3/c1-24-12-4-2-10(3-5-12)15(23)25-7-6-21-14-13(17)8-11(9-22-14)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,22)/p+1