bicyclo[2.2.1]hepta-1,3,5-trien-7-one; [bis(azanyl)methylideneamino]-dimethyl-methylsulfonyl-azanium; dihydrochloride

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; [bis(azanyl)methylideneamino]-dimethyl-methylsulfonyl-azanium; dihydrochloride Openeye Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; guanidino-dimethyl-methylsulfonyl-ammonium; dihydrochloride CAS Name: 7-bicyclo[2.2.1]hepta-1,3,5-trienone; (diaminomethylideneamino)-dimethyl-methylsulfonylammonium; dihydrochloride IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; (diaminomethylideneamino)-dimethyl-methylsulfonylazanium; dihydrochloride Traditional Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; guanidino-mesyl-dimethyl-ammonium; dihydrochloride Formula: C11H19Cl2N4O3S+ MolecularWeight: 358.26456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(N=C(N)N)S(=O)(=O)C.C1=CC2=CC=C1C2=O.Cl.Cl

Isomeric SMILES

C[N+](C)(N=C(N)N)S(=O)(=O)C.C1=CC2=CC=C1C2=O.Cl.Cl

InChI

InChI=1S/C7H4O.C4H13N4O2S.2ClH/c8-7-5-1-2-6(7)4-3-5;1-8(2,7-4(5)6)11(3,9)10;;/h1-4H;1-3H3,(H4,5,6,7);2*1H/q;+1;;