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

Systemtic Name: 2-[[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3,5-diethyl-1-(3-fluorophenyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3,5-diethyl-1-(3-fluorophenyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3,5-diethyl-1-(3-fluorophenyl)pyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3,5-diethyl-1-(3-fluorophenyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H26FN4O+ MolecularWeight: 333.423643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN4O/c1-5-15-17(18(24)20-10-11-22(3)4)16(6-2)23(21-15)14-9-7-8-13(19)12-14/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,24)/p+1