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

Systemtic Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-(4-isobutylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-(2-methylpropyl)-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-(4-isobutylpiperazin-4-ium-1-yl)sulfonylbenzofurazan Formula: C14H21N4O3S+ MolecularWeight: 325.40654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S/c1-11(2)10-17-6-8-18(9-7-17)22(19,20)13-5-3-4-12-14(13)16-21-15-12/h3-5,11H,6-10H2,1-2H3/p+1