1-(1-ethylpiperidin-1-ium-1-yl)-3-[3-[3-(1-ethylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenoxy]propan-2-ol diiodide

Systemtic Name: 1-(1-ethylpiperidin-1-ium-1-yl)-3-[3-[3-(1-ethylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenoxy]propan-2-ol diiodide Openeye Name: 1-(1-ethylpiperidin-1-ium-1-yl)-3-[3-[3-(1-ethylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]phenoxy]propan-2-ol diiodide CAS Name: 1-(1-ethyl-1-piperidin-1-iumyl)-3-[3-[3-(1-ethyl-1-piperidin-1-iumyl)-2-hydroxypropoxy]phenoxy]-2-propanol diiodide IUPAC Name: 1-(1-ethylpiperidin-1-ium-1-yl)-3-[3-[3-(1-ethylpiperidin-1-ium-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol diiodide Traditional Name: 1-(1-ethylpiperidin-1-ium-1-yl)-3-[3-[3-(1-ethylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]phenoxy]propan-2-ol diiodide Formula: C26H46I2N2O4 MolecularWeight: 704.46338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CC(COC2=CC(=CC=C2)OCC(C[N+]3(CCCCC3)CC)O)O.[I-].[I-]

Isomeric SMILES

CC[N+]1(CCCCC1)CC(COC2=CC(=CC=C2)OCC(C[N+]3(CCCCC3)CC)O)O.[I-].[I-]

InChI

InChI=1S/C26H46N2O4.2HI/c1-3-27(14-7-5-8-15-27)19-23(29)21-31-25-12-11-13-26(18-25)32-22-24(30)20-28(4-2)16-9-6-10-17-28;;/h11-13,18,23-24,29-30H,3-10,14-17,19-22H2,1-2H3;2*1H/q+2;;/p-2