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

Systemtic Name: 4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-(4-phenethylpiperazin-4-ium-1-yl)sulfonylbenzofurazan Formula: C18H21N4O3S+ MolecularWeight: 373.44934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C18H20N4O3S/c23-26(24,17-8-4-7-16-18(17)20-25-19-16)22-13-11-21(12-14-22)10-9-15-5-2-1-3-6-15/h1-8H,9-14H2/p+1