N-[[1-(1,3-dimethylbenzimidazol-3-ium-2-yl)cyclobutyl]diazenyl]methanesulfonamide

Systemtic Name: N-[[1-(1,3-dimethylbenzimidazol-3-ium-2-yl)cyclobutyl]diazenyl]methanesulfonamide Openeye Name: N-[1-(1,3-dimethylbenzimidazol-3-ium-2-yl)cyclobutyl]azomethanesulfonamide CAS Name: N-[1-(1,3-dimethyl-2-benzimidazol-3-iumyl)cyclobutyl]azomethanesulfonamide IUPAC Name: N-[[1-(1,3-dimethylbenzimidazol-3-ium-2-yl)cyclobutyl]diazenyl]methanesulfonamide Traditional Name: N-[1-(1,3-dimethylbenzimidazol-3-ium-2-yl)cyclobutyl]azomethanesulfonamide Formula: C14H20N5O2S+ MolecularWeight: 322.4059

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1C3(CCC3)N=NNS(=O)(=O)C)C

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1C3(CCC3)N=NNS(=O)(=O)C)C

InChI

InChI=1S/C14H20N5O2S/c1-18-11-7-4-5-8-12(11)19(2)13(18)14(9-6-10-14)15-16-17-22(3,20)21/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,17)/q+1