4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole

Systemtic Name: 4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-(2-thenyl)piperazin-4-ium-1-yl]sulfonylbenzofurazan Formula: C15H17N4O3S2+ MolecularWeight: 365.45048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C15H16N4O3S2/c20-24(21,14-5-1-4-13-15(14)17-22-16-13)19-8-6-18(7-9-19)11-12-3-2-10-23-12/h1-5,10H,6-9,11H2/p+1