4-bromanyl-2-methoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-methoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-methoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-methoxy-6-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-methoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-methoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Formula: C19H21BrF3N2O2+ MolecularWeight: 446.28145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrF3N2O2/c1-27-17-11-15(20)9-13(18(17)26)12-24-5-7-25(8-6-24)16-4-2-3-14(10-16)19(21,22)23/h2-4,9-11,26H,5-8,12H2,1H3/p+1