1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-(2-naphthylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-(2-naphthalenylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(2-naphthylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C22H22F3N2+ MolecularWeight: 371.41869

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3C=C2)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3C=C2)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N2/c23-22(24,25)20-6-3-7-21(15-20)27-12-10-26(11-13-27)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2/p+1