2-[[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-(3-fluorophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C15H17F4N4O+ MolecularWeight: 345.315293

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C(F)(F)F

InChI

InChI=1S/C15H16F4N4O/c1-22(2)7-6-20-14(24)12-9-21-23(13(12)15(17,18)19)11-5-3-4-10(16)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,20,24)/p+1