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

Systemtic Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]sulfonylbenzofurazan Formula: C17H18FN4O3S+ MolecularWeight: 377.413223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C17H17FN4O3S/c18-14-4-1-3-13(11-14)12-21-7-9-22(10-8-21)26(23,24)16-6-2-5-15-17(16)20-25-19-15/h1-6,11H,7-10,12H2/p+1