triethyl-[6-[2-nitro-4-[6-(triethylazaniumyl)hexyl]phenyl]hexyl]azanium diiodide

Systemtic Name: triethyl-[6-[2-nitro-4-[6-(triethylazaniumyl)hexyl]phenyl]hexyl]azanium diiodide Openeye Name: triethyl-[6-[2-nitro-4-[6-(triethylammonio)hexyl]phenyl]hexyl]ammonium diiodide CAS Name: triethyl-[6-[2-nitro-4-[6-(triethylammonio)hexyl]phenyl]hexyl]ammonium diiodide IUPAC Name: triethyl-[6-[2-nitro-4-[6-(triethylazaniumyl)hexyl]phenyl]hexyl]azanium diiodide Traditional Name: triethyl-[6-[2-nitro-4-[6-(triethylammonio)hexyl]phenyl]hexyl]ammonium diiodide Formula: C30H57I2N3O2 MolecularWeight: 745.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCCCCC1=CC(=C(C=C1)CCCCCC[N+](CC)(CC)CC)[N+](=O)[O-].[I-].[I-]

Isomeric SMILES

CC[N+](CC)(CC)CCCCCCC1=CC(=C(C=C1)CCCCCC[N+](CC)(CC)CC)[N+](=O)[O-].[I-].[I-]

InChI

InChI=1S/C30H57N3O2.2HI/c1-7-32(8-2,9-3)25-19-15-13-17-21-28-23-24-29(30(27-28)31(34)35)22-18-14-16-20-26-33(10-4,11-5)12-6;;/h23-24,27H,7-22,25-26H2,1-6H3;2*1H/q+2;;/p-2