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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-5-thiophen-2-yl-7-(trifluoromethyl)-3-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-3-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C18H19F3N5O2S+ MolecularWeight: 426.43597

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C18H18F3N5O2S/c19-18(20,21)15-10-13(14-2-1-9-29-14)24-16-12(11-23-26(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