1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C20H23BrF3N2O+ MolecularWeight: 444.30863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H22BrF3N2O/c1-27-19-7-6-17(21)12-16(19)14-26-10-8-25(9-11-26)13-15-4-2-3-5-18(15)20(22,23)24/h2-7,12H,8-11,13-14H2,1H3/p+1