1-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]benzimidazole Formula: C16H18BrN4O2S2+ MolecularWeight: 442.37372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C16H17BrN4O2S2/c17-15-5-6-16(24-15)25(22,23)21-9-7-19(8-10-21)12-20-11-18-13-3-1-2-4-14(13)20/h1-6,11H,7-10,12H2/p+1