4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole

Systemtic Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzofurazan Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c1-2-6-16-7-9-17(10-8-16)21(18,19)12-5-3-4-11-13(12)15-20-14-11/h3-5H,2,6-10H2,1H3/p+1