4-(1,5-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(1,5-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(1,5-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine CAS Name: 4-(1,5-dimethyl-4-pyrazolyl)-2-(1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(1,5-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(1,5-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Formula: C14H18F3N6+ MolecularWeight: 327.32813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CC1=C(C=NN1C)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C14H17F3N6/c1-9-10(8-19-22(9)2)11-7-12(14(15,16)17)21-13(20-11)23-5-3-18-4-6-23/h7-8,18H,3-6H2,1-2H3/p+1