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

Systemtic Name: 4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Formula: C17H20F3N4O+ MolecularWeight: 353.36211

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N4O/c1-23-7-9-24(10-8-23)16-21-14(11-15(22-16)17(18,19)20)12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3/p+1