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

Systemtic Name: 2-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Formula: C19H22F3N2O2+ MolecularWeight: 367.38539

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O

InChI

InChI=1S/C19H21F3N2O2/c1-26-18-11-14(5-6-17(18)25)13-23-7-9-24(10-8-23)16-4-2-3-15(12-16)19(20,21)22/h2-6,11-12,25H,7-10,13H2,1H3/p+1