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

Systemtic Name: 4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-(4-isopentylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-(3-methylbutyl)-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-(4-isoamylpiperazin-4-ium-1-yl)sulfonylbenzofurazan Formula: C15H23N4O3S+ MolecularWeight: 339.43312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3S/c1-12(2)6-7-18-8-10-19(11-9-18)23(20,21)14-5-3-4-13-15(14)17-22-16-13/h3-5,12H,6-11H2,1-2H3/p+1