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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-[4-(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=C(C=C2)Br)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)CC3=CC=C(C=C3)C(F)(F)F

InChI

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