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

Systemtic Name: 2-[[5-(2-chlorophenyl)-2-(4-fluorophenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(2-chlorophenyl)-2-(4-fluorophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(2-chlorophenyl)-2-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(2-chlorophenyl)-2-(4-fluorophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(2-chlorophenyl)-2-(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=C(C=C2)F)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3Cl

InChI

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