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

Systemtic Name: 2-[[1-(4-fluorophenyl)-4-phenylmethoxy-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-benzyloxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-(4-fluorophenyl)-4-phenylmethoxy-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-benzoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H24FN4O2+ MolecularWeight: 383.439263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=NN(C=C1OCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=NN(C=C1OCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O2/c1-25(2)13-12-23-21(27)20-19(28-15-16-6-4-3-5-7-16)14-26(24-20)18-10-8-17(22)9-11-18/h3-11,14H,12-13,15H2,1-2H3,(H,23,27)/p+1