1-(phenylmethyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-benzylsulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-benzylsulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C16H21N2O2S2+ MolecularWeight: 337.48014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N2O2S2/c19-22(20,14-15-5-2-1-3-6-15)18-10-8-17(9-11-18)13-16-7-4-12-21-16/h1-7,12H,8-11,13-14H2/p+1