3-bromanyl-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-[2-(4-morpholin-4-iumyl)ethyl]-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C18H18BrF3N5O2S+ MolecularWeight: 505.33203

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C18H17BrF3N5O2S/c19-14-15(17(28)23-3-4-26-5-7-29-8-6-26)25-27-13(18(20,21)22)10-11(24-16(14)27)12-2-1-9-30-12/h1-2,9-10H,3-8H2,(H,23,28)/p+1