1-[4,5-bis(bromanyl)thiophen-2-yl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[4,5-bis(bromanyl)thiophen-2-yl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(4,5-dibromo-2-thienyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(4,5-dibromo-2-thiophenyl)sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[(4,5-dibromo-2-thienyl)sulfonyl]piperazin-1-ium Formula: C15H17Br2N2O2S2+ MolecularWeight: 481.24568

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H16Br2N2O2S2/c16-13-10-14(22-15(13)17)23(20,21)19-8-6-18(7-9-19)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2/p+1