trimethyl-[2-[2-oxidanyl-3-[2-(trimethylazaniumyl)phenoxy]propoxy]phenyl]azanium diiodide

Systemtic Name: trimethyl-[2-[2-oxidanyl-3-[2-(trimethylazaniumyl)phenoxy]propoxy]phenyl]azanium diiodide Openeye Name: [2-[2-hydroxy-3-[2-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethyl-ammonium diiodide CAS Name: [2-[2-hydroxy-3-[2-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethylammonium diiodide IUPAC Name: [2-[2-hydroxy-3-[2-(trimethylazaniumyl)phenoxy]propoxy]phenyl]-trimethylazanium diiodide Traditional Name: [2-[2-hydroxy-3-[2-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethyl-ammonium diiodide Formula: C21H32I2N2O3 MolecularWeight: 614.29932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=CC=C1OCC(COC2=CC=CC=C2[N+](C)(C)C)O.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=CC=C1OCC(COC2=CC=CC=C2[N+](C)(C)C)O.[I-].[I-]

InChI

InChI=1S/C21H32N2O3.2HI/c1-22(2,3)18-11-7-9-13-20(18)25-15-17(24)16-26-21-14-10-8-12-19(21)23(4,5)6;;/h7-14,17,24H,15-16H2,1-6H3;2*1H/q+2;;/p-2