4-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridyl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridyl)-6-(trifluoromethyl)pyrimidine Formula: C15H17F3N5+ MolecularWeight: 324.32419

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3

InChI

InChI=1S/C15H16F3N5/c1-22-6-8-23(9-7-22)13-10-12(15(16,17)18)20-14(21-13)11-4-2-3-5-19-11/h2-5,10H,6-9H2,1H3/p+1