trimethyl-[4-[4-[4-(trimethylazaniumyl)butoxy]phenoxy]butyl]azanium diiodide

Systemtic Name: trimethyl-[4-[4-[4-(trimethylazaniumyl)butoxy]phenoxy]butyl]azanium diiodide Openeye Name: trimethyl-[4-[4-[4-(trimethylammonio)butoxy]phenoxy]butyl]ammonium diiodide CAS Name: trimethyl-[4-[4-[4-(trimethylammonio)butoxy]phenoxy]butyl]ammonium diiodide IUPAC Name: trimethyl-[4-[4-[4-(trimethylazaniumyl)butoxy]phenoxy]butyl]azanium diiodide Traditional Name: trimethyl-[4-[4-[4-(trimethylammonio)butoxy]phenoxy]butyl]ammonium diiodide Formula: C20H38I2N2O2 MolecularWeight: 592.33686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCOC1=CC=C(C=C1)OCCCC[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CCCCOC1=CC=C(C=C1)OCCCC[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C20H38N2O2.2HI/c1-21(2,3)15-7-9-17-23-19-11-13-20(14-12-19)24-18-10-8-16-22(4,5)6;;/h11-14H,7-10,15-18H2,1-6H3;2*1H/q+2;;/p-2