quinolin-4-yl-[2-[3-(trifluoromethyl)-1-(triphenylmethyl)pyrazol-1-ium-1-yl]piperazin-1-yl]methanone

Systemtic Name: quinolin-4-yl-[2-[3-(trifluoromethyl)-1-(triphenylmethyl)pyrazol-1-ium-1-yl]piperazin-1-yl]methanone Openeye Name: 4-quinolyl-[2-[3-(trifluoromethyl)-1-trityl-pyrazol-1-ium-1-yl]piperazin-1-yl]methanone CAS Name: 4-quinolinyl-[2-[3-(trifluoromethyl)-1-(triphenylmethyl)-1-pyrazol-1-iumyl]-1-piperazinyl]methanone IUPAC Name: quinolin-4-yl-[2-[3-(trifluoromethyl)-1-tritylpyrazol-1-ium-1-yl]piperazin-1-yl]methanone Traditional Name: 4-quinolyl-[2-[3-(trifluoromethyl)-1-trityl-pyrazol-1-ium-1-yl]piperazino]methanone Formula: C37H31F3N5O+ MolecularWeight: 618.67015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)[N+]2(C=CC(=N2)C(F)(F)F)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=NC7=CC=CC=C67

Isomeric SMILES

C1CN(C(CN1)[N+]2(C=CC(=N2)C(F)(F)F)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=NC7=CC=CC=C67

InChI

InChI=1S/C37H31F3N5O/c38-37(39,40)33-21-25-45(43-33,34-26-41-23-24-44(34)35(46)31-20-22-42-32-19-11-10-18-30(31)32)36(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-22,25,34,41H,23-24,26H2/q+1