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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(3-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=C2)Br)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC=CC=C3C(F)(F)F

InChI

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