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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN4O/c1-5-7-16-17(18(24)20-10-11-22(3)4)13(2)23(21-16)15-9-6-8-14(19)12-15/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,20,24)/p+1