(4-phenethylpiperazin-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone

Systemtic Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone CAS Name: (4-phenethyl-1-piperazin-4-iumyl)-[3-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-[3-(trifluoromethyl)phenyl]methanone Formula: C20H22F3N2O+ MolecularWeight: 363.39669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O/c21-20(22,23)18-8-4-7-17(15-18)19(26)25-13-11-24(12-14-25)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2/p+1