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

Systemtic Name: 2-bromanyl-6-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[[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)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Br)O

Isomeric SMILES

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

InChI

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