1-(1-benzothiophen-3-ylmethyl)-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C17H19N2O2S3+ MolecularWeight: 379.53996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H18N2O2S3/c20-24(21,17-6-3-11-22-17)19-9-7-18(8-10-19)12-14-13-23-16-5-2-1-4-15(14)16/h1-6,11,13H,7-10,12H2/p+1