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

Systemtic Name: 2-[[5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-ethyl-1-(3-fluorophenyl)-3-isobutyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-ethyl-1-(3-fluorophenyl)-3-isobutyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H30FN4O+ MolecularWeight: 361.476803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN4O/c1-6-18-19(20(26)22-10-11-24(4)5)17(12-14(2)3)23-25(18)16-9-7-8-15(21)13-16/h7-9,13-14H,6,10-12H2,1-5H3,(H,22,26)/p+1