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

Systemtic Name: 4-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine CAS Name: 4-phenyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine Formula: C22H22F3N4+ MolecularWeight: 399.43209

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H21F3N4/c23-22(24,25)20-15-19(18-9-5-2-6-10-18)26-21(27-20)29-13-11-28(12-14-29)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2/p+1