4-(3-methoxyphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(3-methoxyphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(3-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Formula: C23H24F3N4O+ MolecularWeight: 429.45807

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O/c1-31-19-9-5-8-18(14-19)20-15-21(23(24,25)26)28-22(27-20)30-12-10-29(11-13-30)16-17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3/p+1