dimethyl-[2-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]sulfanyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]sulfanyl]ethyl]azanium Openeye Name: 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(4-besyl-5-oxido-furazan-5-ium-3-yl)thio]ethyl-dimethyl-ammonium Formula: C12H16N3O4S2+ MolecularWeight: 330.40314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NO[N+](=C1S(=O)(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

C[NH+](C)CCSC1=NO[N+](=C1S(=O)(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H15N3O4S2/c1-14(2)8-9-20-11-12(15(16)19-13-11)21(17,18)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1