trimethyl-[3-oxidanyl-5-[3-[3-oxidanyl-5-(trimethylazaniumyl)phenoxy]propoxy]phenyl]azanium diiodide

Systemtic Name: trimethyl-[3-oxidanyl-5-[3-[3-oxidanyl-5-(trimethylazaniumyl)phenoxy]propoxy]phenyl]azanium diiodide Openeye Name: [3-hydroxy-5-[3-[3-hydroxy-5-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethyl-ammonium diiodide CAS Name: [3-hydroxy-5-[3-[3-hydroxy-5-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethylammonium diiodide IUPAC Name: [3-hydroxy-5-[3-[3-hydroxy-5-(trimethylazaniumyl)phenoxy]propoxy]phenyl]-trimethylazanium diiodide Traditional Name: [3-hydroxy-5-[3-[3-hydroxy-5-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethyl-ammonium diiodide Formula: C21H32I2N2O4 MolecularWeight: 630.29872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=CC(=C1)OCCCOC2=CC(=CC(=C2)O)[N+](C)(C)C)O.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC(=CC(=C1)OCCCOC2=CC(=CC(=C2)O)[N+](C)(C)C)O.[I-].[I-]

InChI

InChI=1S/C21H30N2O4.2HI/c1-22(2,3)16-10-18(24)14-20(12-16)26-8-7-9-27-21-13-17(23(4,5)6)11-19(25)15-21;;/h10-15H,7-9H2,1-6H3;2*1H