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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)F)C(C)C)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)F)C(C)C)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C19H27FN4O/c1-6-16-17(19(25)21-10-11-23(4)5)18(13(2)3)22-24(16)15-9-7-8-14(20)12-15/h7-9,12-13H,6,10-11H2,1-5H3,(H,21,25)/p+1