2-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]ethyl-dimethylazanium Traditional Name: 2-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]ethyl-dimethyl-ammonium Formula: C21H26FN4O+ MolecularWeight: 369.455743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCC[NH+](C)C)OC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CNCC[NH+](C)C)OC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H25FN4O/c1-16-20(15-23-13-14-25(2)3)21(27-19-11-9-17(22)10-12-19)26(24-16)18-7-5-4-6-8-18/h4-12,23H,13-15H2,1-3H3/p+1