2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]pyrimidine Formula: C16H18F3N4+ MolecularWeight: 323.33613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=NC=CC=N3

InChI

InChI=1S/C16H17F3N4/c17-16(18,19)14-4-2-13(3-5-14)12-22-8-10-23(11-9-22)15-20-6-1-7-21-15/h1-7H,8-12H2/p+1