1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(p-tolylsulfonyl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-thenyl)-4-tosyl-piperazin-1-ium Formula: C16H21N2O2S2+ MolecularWeight: 337.48014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C16H20N2O2S2/c1-14-2-4-16(5-3-14)22(19,20)18-9-7-17(8-10-18)12-15-6-11-21-13-15/h2-6,11,13H,7-10,12H2,1H3/p+1