2-morpholin-4-ium-4-yl-5-[[2-(trifluoromethyl)phenyl]methylamino]benzoate

Systemtic Name: 2-morpholin-4-ium-4-yl-5-[[2-(trifluoromethyl)phenyl]methylamino]benzoate Openeye Name: 2-morpholin-4-ium-4-yl-5-[[2-(trifluoromethyl)phenyl]methylamino]benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-[[2-(trifluoromethyl)phenyl]methylamino]benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-[[2-(trifluoromethyl)phenyl]methylamino]benzoate Traditional Name: 2-morpholin-4-ium-4-yl-5-[[2-(trifluoromethyl)benzyl]amino]benzoate Formula: C19H19F3N2O3 MolecularWeight: 380.36097

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CC=C3C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CC=C3C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C19H19F3N2O3/c20-19(21,22)16-4-2-1-3-13(16)12-23-14-5-6-17(15(11-14)18(25)26)24-7-9-27-10-8-24/h1-6,11,23H,7-10,12H2,(H,25,26)