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

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

Systemtic Name:1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Openeye Name:1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CAS Name:1-[(5-bromo-2-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
IUPAC Name:1-[(5-bromo-2-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Traditional Name:1-(5-bromo-2-methoxy-benzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Formula: C19H21BrF3N2O+
MolecularWeight: 430.28205
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H20BrF3N2O/c1-26-18-6-5-16(20)11-14(18)13-24-7-9-25(10-8-24)17-4-2-3-15(12-17)19(21,22)23/h2-6,11-12H,7-10,13H2,1H3/p+1


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