2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(2-furyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(2-furanyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(2-furyl)-6-(trifluoromethyl)pyrimidine Formula: C26H24F3N4O+ MolecularWeight: 465.49017

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=CC(=N4)C(F)(F)F)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=CC(=N4)C(F)(F)F)C5=CC=CO5

InChI

InChI=1S/C26H23F3N4O/c27-26(28,29)23-18-21(22-12-7-17-34-22)30-25(31-23)33-15-13-32(14-16-33)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17-18,24H,13-16H2/p+1