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

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(2-bromobenzyl)piperazin-4-ium Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19BrN2O2S/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)23(21,22)16-7-2-1-3-8-16/h1-9H,10-14H2/p+1