triethyl-[4-[3-[4-(triethylazaniumyl)but-2-ynoxy]phenoxy]but-2-ynyl]azanium diiodide

Systemtic Name: triethyl-[4-[3-[4-(triethylazaniumyl)but-2-ynoxy]phenoxy]but-2-ynyl]azanium diiodide Openeye Name: triethyl-[4-[3-[4-(triethylammonio)but-2-ynoxy]phenoxy]but-2-ynyl]ammonium diiodide CAS Name: triethyl-[4-[3-[4-(triethylammonio)but-2-ynoxy]phenoxy]but-2-ynyl]ammonium diiodide IUPAC Name: triethyl-[4-[3-[4-(triethylazaniumyl)but-2-ynoxy]phenoxy]but-2-ynyl]azanium diiodide Traditional Name: triethyl-[4-[3-[4-(triethylammonio)but-2-ynoxy]phenoxy]but-2-ynyl]ammonium diiodide Formula: C26H42I2N2O2 MolecularWeight: 668.43282

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC#CCOC1=CC(=CC=C1)OCC#CC[N+](CC)(CC)CC.[I-].[I-]

Isomeric SMILES

CC[N+](CC)(CC)CC#CCOC1=CC(=CC=C1)OCC#CC[N+](CC)(CC)CC.[I-].[I-]

InChI

InChI=1S/C26H42N2O2.2HI/c1-7-27(8-2,9-3)20-13-15-22-29-25-18-17-19-26(24-25)30-23-16-14-21-28(10-4,11-5)12-6;;/h17-19,24H,7-12,20-23H2,1-6H3;2*1H/q+2;;/p-2