4-bromanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Formula: C18H19BrF3N2O+ MolecularWeight: 416.25547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrF3N2O/c19-15-4-5-17(25)13(10-15)12-23-6-8-24(9-7-23)16-3-1-2-14(11-16)18(20,21)22/h1-5,10-11,25H,6-9,12H2/p+1