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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-[4-(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)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)Br

InChI

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