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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(3-bromobenzyl)piperazin-4-ium Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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