2-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylcarbamoyl]benzoate

Systemtic Name: 2-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylcarbamoyl]benzoate Openeye Name: 2-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylcarbamoyl]benzoate CAS Name: 2-[oxo-[2-[[5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethylamino]methyl]benzoate IUPAC Name: 2-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylcarbamoyl]benzoate Traditional Name: 2-[2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylcarbamoyl]benzoate Formula: C16H14F3N3O3 MolecularWeight: 353.29587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCNC2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCNC2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C16H14F3N3O3/c17-16(18,19)10-5-6-13(22-9-10)20-7-8-21-14(23)11-3-1-2-4-12(11)15(24)25/h1-6,9H,7-8H2,(H,20,22)(H,21,23)(H,24,25)