3-[[3-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[3-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethyl-ammonium Formula: C19H22BrF3N5OS+ MolecularWeight: 505.37509

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C19H21BrF3N5OS/c1-3-27(4-2)9-6-8-24-18(29)16-15(20)17-25-12(13-7-5-10-30-13)11-14(19(21,22)23)28(17)26-16/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,24,29)/p+1