tert-butyl-[[3-ethoxy-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethoxy]phenyl]methyl]azanium

Systemtic Name: tert-butyl-[[3-ethoxy-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethoxy]phenyl]methyl]azanium Openeye Name: tert-butyl-[[3-ethoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methyl]ammonium CAS Name: tert-butyl-[[3-ethoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methyl]ammonium IUPAC Name: tert-butyl-[[3-ethoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methyl]azanium Traditional Name: tert-butyl-[3-ethoxy-4-[2-keto-2-[3-(trifluoromethyl)anilino]ethoxy]benzyl]ammonium Formula: C22H28F3N2O3+ MolecularWeight: 425.46453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C(C)(C)C)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C(C)(C)C)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C22H27F3N2O3/c1-5-29-19-11-15(13-26-21(2,3)4)9-10-18(19)30-14-20(28)27-17-8-6-7-16(12-17)22(23,24)25/h6-12,26H,5,13-14H2,1-4H3,(H,27,28)/p+1