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

Systemtic Name: 2-[[5-ethyl-1-(4-fluorophenyl)-3-propyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-ethyl-1-(4-fluorophenyl)-3-propyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-ethyl-1-(4-fluorophenyl)-3-propyl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-ethyl-1-(4-fluorophenyl)-3-propylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-ethyl-1-(4-fluorophenyl)-3-propyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C19H28FN4O+ MolecularWeight: 347.450223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)NCC[NH+](C)C)CC)C2=CC=C(C=C2)F

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)NCC[NH+](C)C)CC)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H27FN4O/c1-5-7-16-18(19(25)21-12-13-23(3)4)17(6-2)24(22-16)15-10-8-14(20)9-11-15/h8-11H,5-7,12-13H2,1-4H3,(H,21,25)/p+1