1-(1-benzothiophen-3-ylmethyl)-4-(2-bromophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-bromophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(2-bromophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-bromophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-bromophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(2-bromophenyl)sulfonyl-piperazin-1-ium Formula: C19H20BrN2O2S2+ MolecularWeight: 452.4083

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=CC=C4Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C19H19BrN2O2S2/c20-17-6-2-4-8-19(17)26(23,24)22-11-9-21(10-12-22)13-15-14-25-18-7-3-1-5-16(15)18/h1-8,14H,9-13H2/p+1