1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C22H22F3N2O+ MolecularWeight: 387.41809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O/c23-22(24,25)17-5-3-6-18(14-17)27-12-10-26(11-13-27)15-20-19-7-2-1-4-16(19)8-9-21(20)28/h1-9,14,28H,10-13,15H2/p+1