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1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name:1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Openeye Name:1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CAS Name:1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
IUPAC Name:1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Traditional Name:1-(5-bromo-2,4-dimethoxy-benzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Formula: C20H23BrF3N2O2+
MolecularWeight: 460.30803
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Br)OC


Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Br)OC


InChI

InChI=1S/C20H22BrF3N2O2/c1-27-18-12-19(28-2)17(21)10-14(18)13-25-6-8-26(9-7-25)16-5-3-4-15(11-16)20(22,23)24/h3-5,10-12H,6-9,13H2,1-2H3/p+1


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