4-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(3,4-dimethoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Formula: C18H22F3N4O2+ MolecularWeight: 383.38809

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N4O2/c1-24-6-8-25(9-7-24)17-22-13(11-16(23-17)18(19,20)21)12-4-5-14(26-2)15(10-12)27-3/h4-5,10-11H,6-9H2,1-3H3/p+1