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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzofurazan Formula: C17H19N4O3S+ MolecularWeight: 359.42276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S/c22-25(23,16-8-4-7-15-17(16)19-24-18-15)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14/h1-8H,9-13H2/p+1