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

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

Isomeric SMILES

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

InChI

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