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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C18H19F3N5O2S+ MolecularWeight: 426.43597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N5O2S/c19-18(20,21)15-10-12(14-2-1-9-29-14)23-16-11-13(24-26(15)16)17(27)22-3-4-25-5-7-28-8-6-25/h1-2,9-11H,3-8H2,(H,22,27)/p+1