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

Systemtic Name: 4-(1-ethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(1-ethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine CAS Name: 4-(1-ethyl-4-pyrazolyl)-2-(1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(1-ethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(1-ethylpyrazol-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:

CCN1C=C(C=N1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CCN1C=C(C=N1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

InChI

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