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

Systemtic Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]sulfonylbenzofurazan Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=NON=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=NON=C54

InChI

InChI=1S/C21H20N4O3S/c26-29(27,20-10-4-9-19-21(20)23-28-22-19)25-13-11-24(12-14-25)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-10H,11-15H2/p+1