8-[dimethyl-[(4-nitrophenyl)methyl]azaniumyl]octyl-dimethyl-[(4-nitrophenyl)methyl]azanium dibromide

Systemtic Name: 8-[dimethyl-[(4-nitrophenyl)methyl]azaniumyl]octyl-dimethyl-[(4-nitrophenyl)methyl]azanium dibromide Openeye Name: 8-[dimethyl-[(4-nitrophenyl)methyl]ammonio]octyl-dimethyl-[(4-nitrophenyl)methyl]ammonium dibromide CAS Name: 8-[dimethyl-[(4-nitrophenyl)methyl]ammonio]octyl-dimethyl-[(4-nitrophenyl)methyl]ammonium dibromide IUPAC Name: 8-[dimethyl-[(4-nitrophenyl)methyl]azaniumyl]octyl-dimethyl-[(4-nitrophenyl)methyl]azanium dibromide Traditional Name: 8-[dimethyl-(4-nitrobenzyl)ammonio]octyl-dimethyl-(4-nitrobenzyl)ammonium dibromide Formula: C26H40Br2N4O4 MolecularWeight: 632.4282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)[N+](=O)[O-].[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)[N+](=O)[O-].[Br-].[Br-]

InChI

InChI=1S/C26H40N4O4.2BrH/c1-29(2,21-23-11-15-25(16-12-23)27(31)32)19-9-7-5-6-8-10-20-30(3,4)22-24-13-17-26(18-14-24)28(33)34;;/h11-18H,5-10,19-22H2,1-4H3;2*1H/q+2;;/p-2