1-(1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone Formula: C21H21F3N3O+ MolecularWeight: 388.40615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O/c22-21(23,24)15-4-3-5-16(12-15)27-10-8-26(9-11-27)14-20(28)18-13-25-19-7-2-1-6-17(18)19/h1-7,12-13,25H,8-11,14H2/p+1