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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Formula: C29H28F3N4O+ MolecularWeight: 505.55403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C29H27F3N4O/c1-37-24-14-8-13-23(19-24)25-20-26(29(30,31)32)34-28(33-25)36-17-15-35(16-18-36)27(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19-20,27H,15-18H2,1H3/p+1