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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-brosyl-4-(2-thenyl)piperazin-4-ium Formula: C15H18BrN2O2S2+ MolecularWeight: 402.34962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O2S2/c16-13-3-5-15(6-4-13)22(19,20)18-9-7-17(8-10-18)12-14-2-1-11-21-14/h1-6,11H,7-10,12H2/p+1