4-(1-methylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(1-methylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(1-methylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine CAS Name: 4-(1-methyl-4-pyrazolyl)-2-(1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(1-methylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(1-methylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Formula: C13H16F3N6+ MolecularWeight: 313.30155

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C13H15F3N6/c1-21-8-9(7-18-21)10-6-11(13(14,15)16)20-12(19-10)22-4-2-17-3-5-22/h6-8,17H,2-5H2,1H3/p+1