3-bromanyl-5-phenyl-N-(pyridin-1-ium-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-5-phenyl-N-(pyridin-1-ium-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-5-phenyl-N-(pyridin-1-ium-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-5-phenyl-N-(3-pyridin-1-iumylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-5-phenyl-N-(pyridin-1-ium-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-5-phenyl-N-(pyridin-1-ium-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C20H14BrF3N5O+ MolecularWeight: 477.25727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=C[NH+]=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=C[NH+]=CC=C4)Br

InChI

InChI=1S/C20H13BrF3N5O/c21-16-17(19(30)26-11-12-5-4-8-25-10-12)28-29-15(20(22,23)24)9-14(27-18(16)29)13-6-2-1-3-7-13/h1-10H,11H2,(H,26,30)/p+1