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

Systemtic Name: 2-[[1-(3-fluorophenyl)-5-phenyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(3-fluorophenyl)-5-phenyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-(3-fluorophenyl)-5-phenyl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(3-fluorophenyl)-5-phenylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(3-fluorophenyl)-5-phenyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H22FN4O+ MolecularWeight: 353.413283

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O/c1-24(2)12-11-22-20(26)18-14-23-25(17-10-6-9-16(21)13-17)19(18)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)/p+1