1-(4-bromophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-brosyl-4-(3-fluorobenzyl)piperazin-4-ium Formula: C17H19BrFN2O2S+ MolecularWeight: 414.312363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrFN2O2S/c18-15-4-6-17(7-5-15)24(22,23)21-10-8-20(9-11-21)13-14-2-1-3-16(19)12-14/h1-7,12H,8-11,13H2/p+1