2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 4-(trifluoromethyloxy)benzoate

Systemtic Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 4-(trifluoromethyloxy)benzoate Openeye Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid 2-[(5-cyano-2-pyridin-1-iumyl)-methylamino]ethyl ester IUPAC Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methylamino]ethyl 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl ester Formula: C17H15F3N3O3+ MolecularWeight: 366.31451

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC=C(C=C1)OC(F)(F)F)C2=[NH+]C=C(C=C2)C#N

Isomeric SMILES

CN(CCOC(=O)C1=CC=C(C=C1)OC(F)(F)F)C2=[NH+]C=C(C=C2)C#N

InChI

InChI=1S/C17H14F3N3O3/c1-23(15-7-2-12(10-21)11-22-15)8-9-25-16(24)13-3-5-14(6-4-13)26-17(18,19)20/h2-7,11H,8-9H2,1H3/p+1