4-[bis(fluoranyl)methyl]-6-(4-fluorophenyl)-2-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(4-fluorophenyl)-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-(difluoromethyl)-6-(4-fluorophenyl)-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-(difluoromethyl)-6-(4-fluorophenyl)-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(difluoromethyl)-6-(4-fluorophenyl)-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-(difluoromethyl)-6-(4-fluorophenyl)-2-piperazin-4-ium-1-yl-pyrimidine Formula: C15H16F3N4+ MolecularWeight: 309.30955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=CC(=N2)C(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=CC(=N2)C(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H15F3N4/c16-11-3-1-10(2-4-11)12-9-13(14(17)18)21-15(20-12)22-7-5-19-6-8-22/h1-4,9,14,19H,5-8H2/p+1