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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C20H23BrF3N2O+ MolecularWeight: 444.30863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F)Br

InChI

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