5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-3-phenyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Formula: C23H22F3N6+ MolecularWeight: 439.45619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C23H21F3N6/c1-16-15-19(31-13-11-30(12-14-31)18-9-5-6-10-27-18)32-22(28-16)20(17-7-3-2-4-8-17)21(29-32)23(24,25)26/h2-10,15H,11-14H2,1H3/p+1