3-cyanopropyl-methyl-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]azanium

Systemtic Name: 3-cyanopropyl-methyl-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]azanium Openeye Name: 3-cyanopropyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]ammonium CAS Name: 3-cyanopropyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]ammonium IUPAC Name: 3-cyanopropyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium Traditional Name: 3-cyanopropyl-[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]-methyl-ammonium Formula: C14H17F3N3O2+ MolecularWeight: 316.29889

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC#N)CC(=O)NC1=CC=C(C=C1)OC(F)(F)F

Isomeric SMILES

C[NH+](CCCC#N)CC(=O)NC1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C14H16F3N3O2/c1-20(9-3-2-8-18)10-13(21)19-11-4-6-12(7-5-11)22-14(15,16)17/h4-7H,2-3,9-10H2,1H3,(H,19,21)/p+1