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

Systemtic Name: 2-[[5-(2-fluorophenyl)-2-(4-nitrophenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(2-fluorophenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(2-fluorophenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(2-fluorophenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(2-fluorophenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H21FN5O3+ MolecularWeight: 398.410843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN5O3/c1-24(2)12-11-22-20(27)19-13-18(16-5-3-4-6-17(16)21)23-25(19)14-7-9-15(10-8-14)26(28)29/h3-10,13H,11-12H2,1-2H3,(H,22,27)/p+1