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

Systemtic Name: 2-[[2-(3-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(3-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(3-chlorophenyl)-5-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(3-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(3-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H21ClFN4O+ MolecularWeight: 387.858343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20ClFN4O/c1-25(2)11-10-23-20(27)19-13-18(14-6-8-16(22)9-7-14)24-26(19)17-5-3-4-15(21)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)/p+1