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

Systemtic Name: 4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Formula: C16H17ClF3N4+ MolecularWeight: 357.78119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClF3N4/c1-23-6-8-24(9-7-23)15-21-13(10-14(22-15)16(18,19)20)11-2-4-12(17)5-3-11/h2-5,10H,6-9H2,1H3/p+1