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

Systemtic Name: 2-[4-[[2,6-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(2,6-difluorophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(2,6-difluorophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(2,6-difluorophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(2,6-difluorobenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C15H17F2N4+ MolecularWeight: 291.319086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2F)F)C3=NC=CC=N3

InChI

InChI=1S/C15H16F2N4/c16-13-3-1-4-14(17)12(13)11-20-7-9-21(10-8-20)15-18-5-2-6-19-15/h1-6H,7-11H2/p+1