1-(4-bromophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium chloride

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium chloride Openeye Name: 1-benzyl-4-(4-bromophenyl)sulfonyl-piperazin-1-ium chloride CAS Name: 1-(4-bromophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium chloride IUPAC Name: 1-benzyl-4-(4-bromophenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-benzyl-4-brosyl-piperazin-1-ium chloride Formula: C17H20BrClN2O2S MolecularWeight: 431.7749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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