1-(5-bromanylthiophen-2-yl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-(2-thenyl)piperazin-4-ium Formula: C13H16BrN2O2S3+ MolecularWeight: 408.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C13H15BrN2O2S3/c14-12-3-4-13(20-12)21(17,18)16-7-5-15(6-8-16)10-11-2-1-9-19-11/h1-4,9H,5-8,10H2/p+1