3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Formula: C18H20F3N2O+ MolecularWeight: 337.35941

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O/c19-18(20,21)15-4-2-5-16(12-15)23-9-7-22(8-10-23)13-14-3-1-6-17(24)11-14/h1-6,11-12,24H,7-10,13H2/p+1