1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-(9-anthrylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-(9-anthracenylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(9-anthrylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C26H24F3N2+ MolecularWeight: 421.47737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC=CC3=CC4=CC=CC=C42)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC=CC3=CC4=CC=CC=C42)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H23F3N2/c27-26(28,29)21-8-5-9-22(17-21)31-14-12-30(13-15-31)18-25-23-10-3-1-6-19(23)16-20-7-2-4-11-24(20)25/h1-11,16-17H,12-15,18H2/p+1