1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-bromobenzyl)-4-(3-fluorobenzyl)piperazine-1,4-diium Formula: C18H22BrFN2+2 MolecularWeight: 365.283083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)F)CC3=CC=CC=C3Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)F)CC3=CC=CC=C3Br

InChI

InChI=1S/C18H20BrFN2/c19-18-7-2-1-5-16(18)14-22-10-8-21(9-11-22)13-15-4-3-6-17(20)12-15/h1-7,12H,8-11,13-14H2/p+2