1-(4-chlorophenyl)sulfonyl-4-phenyl-piperazin-4-ium chloride

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-phenyl-piperazin-4-ium chloride Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-phenyl-piperazin-4-ium chloride CAS Name: 1-(4-chlorophenyl)sulfonyl-4-phenylpiperazin-4-ium chloride IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-phenylpiperazin-4-ium chloride Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-phenyl-piperazin-4-ium chloride Formula: C16H18Cl2N2O2S MolecularWeight: 373.29732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O2S.ClH/c17-14-6-8-16(9-7-14)22(20,21)19-12-10-18(11-13-19)15-4-2-1-3-5-15;/h1-9H,10-13H2;1H