9-[dimethyl-(4-nitrophenyl)azaniumyl]nonyl-dimethyl-(4-nitrophenyl)azanium dibromide dihydrate

Systemtic Name: 9-[dimethyl-(4-nitrophenyl)azaniumyl]nonyl-dimethyl-(4-nitrophenyl)azanium dibromide dihydrate Openeye Name: 9-[dimethyl-(4-nitrophenyl)ammonio]nonyl-dimethyl-(4-nitrophenyl)ammonium dibromide dihydrate CAS Name: 9-[dimethyl-(4-nitrophenyl)ammonio]nonyl-dimethyl-(4-nitrophenyl)ammonium dibromide dihydrate IUPAC Name: 9-[dimethyl-(4-nitrophenyl)azaniumyl]nonyl-dimethyl-(4-nitrophenyl)azanium dibromide dihydrate Traditional Name: 9-[dimethyl-(4-nitrophenyl)ammonio]nonyl-dimethyl-(4-nitrophenyl)ammonium dibromide dihydrate Formula: C25H42Br2N4O6 MolecularWeight: 654.43218

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCC[N+](C)(C)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].O.O.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CCCCCCCCC[N+](C)(C)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].O.O.[Br-].[Br-]

InChI

InChI=1S/C25H38N4O4.2BrH.2H2O/c1-28(2,24-16-12-22(13-17-24)26(30)31)20-10-8-6-5-7-9-11-21-29(3,4)25-18-14-23(15-19-25)27(32)33;;;;/h12-19H,5-11,20-21H2,1-4H3;2*1H;2*1H2/q+2;;;;/p-2