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

Systemtic Name: 4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-(2-ethylbutyl)-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]sulfonylbenzofurazan Formula: C16H25N4O3S+ MolecularWeight: 353.4597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC3=NON=C32

Isomeric SMILES

CCC(CC)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC3=NON=C32

InChI

InChI=1S/C16H24N4O3S/c1-3-13(4-2)12-19-8-10-20(11-9-19)24(21,22)15-7-5-6-14-16(15)18-23-17-14/h5-7,13H,3-4,8-12H2,1-2H3/p+1