4-(1-ethyl-3-methyl-pyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(1-ethyl-3-methyl-pyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(1-ethyl-3-methyl-pyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine CAS Name: 4-(1-ethyl-3-methyl-4-pyrazolyl)-2-(1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(1-ethyl-3-methylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(1-ethyl-3-methyl-pyrazol-4-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Formula: C15H20F3N6+ MolecularWeight: 341.35471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19F3N6/c1-3-24-9-11(10(2)22-24)12-8-13(15(16,17)18)21-14(20-12)23-6-4-19-5-7-23/h8-9,19H,3-7H2,1-2H3/p+1