2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

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