[2-oxidanyl-3-[3-[2-oxidanyl-3-(pentan-3-ylazaniumyl)propoxy]phenoxy]propyl]-pentan-3-yl-azanium diiodide

Systemtic Name: [2-oxidanyl-3-[3-[2-oxidanyl-3-(pentan-3-ylazaniumyl)propoxy]phenoxy]propyl]-pentan-3-yl-azanium diiodide Openeye Name: 1-ethylpropyl-[3-[3-[3-(1-ethylpropylammonio)-2-hydroxy-propoxy]phenoxy]-2-hydroxy-propyl]ammonium diiodide CAS Name: [2-hydroxy-3-[3-[2-hydroxy-3-(pentan-3-ylammonio)propoxy]phenoxy]propyl]-pentan-3-ylammonium diiodide IUPAC Name: [2-hydroxy-3-[3-[2-hydroxy-3-(pentan-3-ylazaniumyl)propoxy]phenoxy]propyl]-pentan-3-ylazanium diiodide Traditional Name: 1-ethylpropyl-[3-[3-[3-(1-ethylpropylammonio)-2-hydroxy-propoxy]phenoxy]-2-hydroxy-propyl]ammonium diiodide Formula: C22H42I2N2O4 MolecularWeight: 652.38882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC(COC1=CC(=CC=C1)OCC(C[NH2+]C(CC)CC)O)O.[I-].[I-]

Isomeric SMILES

CCC(CC)[NH2+]CC(COC1=CC(=CC=C1)OCC(C[NH2+]C(CC)CC)O)O.[I-].[I-]

InChI

InChI=1S/C22H40N2O4.2HI/c1-5-17(6-2)23-13-19(25)15-27-21-10-9-11-22(12-21)28-16-20(26)14-24-18(7-3)8-4;;/h9-12,17-20,23-26H,5-8,13-16H2,1-4H3;2*1H