[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-dimethylammonio]hexyl]-dimethylammonium dibromide IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium dibromide Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide Formula: C30H42Br2N2O6 MolecularWeight: 686.47228

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCC[N+](C)(C)CC(=O)C1=CC2=C(C=C1)OCCO2)CC(=O)C3=CC4=C(C=C3)OCCO4.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CCCCCC[N+](C)(C)CC(=O)C1=CC2=C(C=C1)OCCO2)CC(=O)C3=CC4=C(C=C3)OCCO4.[Br-].[Br-]

InChI

InChI=1S/C30H42N2O6.2BrH/c1-31(2,21-25(33)23-9-11-27-29(19-23)37-17-15-35-27)13-7-5-6-8-14-32(3,4)22-26(34)24-10-12-28-30(20-24)38-18-16-36-28;;/h9-12,19-20H,5-8,13-18,21-22H2,1-4H3;2*1H/q+2;;/p-2