1-(4-methylphenyl)sulfonyl-4-phenyl-piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-phenyl-piperazin-4-ium Openeye Name: 1-phenyl-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-phenylpiperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-phenylpiperazin-4-ium Traditional Name: 1-phenyl-4-tosyl-piperazin-1-ium Formula: C17H21N2O2S+ MolecularWeight: 317.42584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O2S/c1-15-7-9-17(10-8-15)22(20,21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3/p+1