5-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 5-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5-(3-methoxyphenyl)-N-methyl-N-[2-(2-pyridin-1-iumyl)ethyl]-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 5-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 5-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C23H21F3N5O2+ MolecularWeight: 456.44035

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=[NH+]1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC(=CC=C4)OC

Isomeric SMILES

CN(CCC1=CC=CC=[NH+]1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H20F3N5O2/c1-30(11-9-16-7-3-4-10-27-16)22(32)18-14-28-31-20(23(24,25)26)13-19(29-21(18)31)15-6-5-8-17(12-15)33-2/h3-8,10,12-14H,9,11H2,1-2H3/p+1