[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-[5-[[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-dimethyl-azaniumyl]pentyl]-dimethyl-azanium dibromide

Systemtic Name: [2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-[5-[[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-dimethyl-azaniumyl]pentyl]-dimethyl-azanium dibromide Openeye Name: [2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-[5-[[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-dimethyl-ammonio]pentyl]-dimethyl-ammonium dibromide CAS Name: [2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-[5-[[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-dimethylammonio]pentyl]-dimethylammonium dibromide IUPAC Name: [2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-[5-[[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-dimethylazaniumyl]pentyl]-dimethylazanium dibromide Traditional Name: [2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-[5-[[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-dimethyl-ammonio]pentyl]-dimethyl-ammonium dibromide Formula: C33H48Br2N2O6 MolecularWeight: 728.55202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(=O)C[N+](C)(C)CCCCC[N+](C)(C)CC(=O)C3=CC4=C(C=C3CC)OCCO4)OCCO2.[Br-].[Br-]

Isomeric SMILES

CCC1=CC2=C(C=C1C(=O)C[N+](C)(C)CCCCC[N+](C)(C)CC(=O)C3=CC4=C(C=C3CC)OCCO4)OCCO2.[Br-].[Br-]

InChI

InChI=1S/C33H48N2O6.2BrH/c1-7-24-18-30-32(40-16-14-38-30)20-26(24)28(36)22-34(3,4)12-10-9-11-13-35(5,6)23-29(37)27-21-33-31(19-25(27)8-2)39-15-17-41-33;;/h18-21H,7-17,22-23H2,1-6H3;2*1H/q+2;;/p-2