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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium Formula: C15H18BrN2O2S2+ MolecularWeight: 402.34962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

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