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

Systemtic Name: 4-(4-methylphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-piperazin-4-ium-1-yl-4-(p-tolyl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(4-methylphenyl)-2-(1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-methylphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-piperazin-4-ium-1-yl-4-(p-tolyl)-6-(trifluoromethyl)pyrimidine Formula: C16H18F3N4+ MolecularWeight: 323.33613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C16H17F3N4/c1-11-2-4-12(5-3-11)13-10-14(16(17,18)19)22-15(21-13)23-8-6-20-7-9-23/h2-5,10,20H,6-9H2,1H3/p+1