trimethyl-[2-[3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)-[3-oxidanylidene-3-[2-(trimethylazaniumyl)ethoxy]propyl]amino]propanoyloxy]ethyl]azanium dibromide

Systemtic Name: trimethyl-[2-[3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)-[3-oxidanylidene-3-[2-(trimethylazaniumyl)ethoxy]propyl]amino]propanoyloxy]ethyl]azanium dibromide Openeye Name: trimethyl-[2-[3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)-[3-oxo-3-[2-(trimethylammonio)ethoxy]propyl]amino]propanoyloxy]ethyl]ammonium dibromide CAS Name: trimethyl-[2-[3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)-[3-oxo-3-[2-(trimethylammonio)ethoxy]propyl]amino]-1-oxopropoxy]ethyl]ammonium dibromide IUPAC Name: trimethyl-[2-[3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]amino]propanoyloxy]ethyl]azanium dibromide Traditional Name: 2-[3-[[3-keto-3-[2-(trimethylammonio)ethoxy]propyl]-(7-nitrobenzofurazan-4-yl)amino]propanoyloxy]ethyl-trimethyl-ammonium dibromide Formula: C22H36Br2N6O7 MolecularWeight: 656.36524

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)CCN(CCC(=O)OCC[N+](C)(C)C)C1=CC=C(C2=NON=C12)[N+](=O)[O-].[Br-].[Br-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)CCN(CCC(=O)OCC[N+](C)(C)C)C1=CC=C(C2=NON=C12)[N+](=O)[O-].[Br-].[Br-]

InChI

InChI=1S/C22H36N6O7.2BrH/c1-27(2,3)13-15-33-19(29)9-11-25(12-10-20(30)34-16-14-28(4,5)6)17-7-8-18(26(31)32)22-21(17)23-35-24-22;;/h7-8H,9-16H2,1-6H3;2*1H/q+2;;/p-2