1-[(2-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(2-bromobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C19H21BrF3N2+ MolecularWeight: 414.28265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20BrF3N2/c20-18-8-4-2-6-16(18)14-25-11-9-24(10-12-25)13-15-5-1-3-7-17(15)19(21,22)23/h1-8H,9-14H2/p+1