pentan-3-yl-[2-[4-[2-(pentan-3-ylazaniumyl)ethoxy]phenoxy]ethyl]azanium diiodide

Systemtic Name: pentan-3-yl-[2-[4-[2-(pentan-3-ylazaniumyl)ethoxy]phenoxy]ethyl]azanium diiodide Openeye Name: 1-ethylpropyl-[2-[4-[2-(1-ethylpropylammonio)ethoxy]phenoxy]ethyl]ammonium diiodide CAS Name: pentan-3-yl-[2-[4-[2-(pentan-3-ylammonio)ethoxy]phenoxy]ethyl]ammonium diiodide IUPAC Name: pentan-3-yl-[2-[4-[2-(pentan-3-ylazaniumyl)ethoxy]phenoxy]ethyl]azanium diiodide Traditional Name: 1-ethylpropyl-[2-[4-[2-(1-ethylpropylammonio)ethoxy]phenoxy]ethyl]ammonium diiodide Formula: C20H38I2N2O2 MolecularWeight: 592.33686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCOC1=CC=C(C=C1)OCC[NH2+]C(CC)CC.[I-].[I-]

Isomeric SMILES

CCC(CC)[NH2+]CCOC1=CC=C(C=C1)OCC[NH2+]C(CC)CC.[I-].[I-]

InChI

InChI=1S/C20H36N2O2.2HI/c1-5-17(6-2)21-13-15-23-19-9-11-20(12-10-19)24-16-14-22-18(7-3)8-4;;/h9-12,17-18,21-22H,5-8,13-16H2,1-4H3;2*1H