Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(benzyldiethyl-, dichloride

HCID 60140

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Basic information

CAS: 106405-64-5
Standard SMILES: CC[N+](CC)(Cc1ccccc1)CC(O)COc1cccc(OCC(O)C[N+](CC)(CC)Cc2ccccc2)c1.[Cl-].[Cl-]
InChIKey: FTWLWRCDMARBIR-UHFFFAOYSA-L
Molecular formula: C34H50Cl2N2O4
Average molar mass: 621.7 g/mol
Monoisotopic mass: 620.3147635

Names & identifiers

Preferred name: Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(benzyldiethyl-, dichloride
IUPAC: benzyl-[3-[3-[3-[benzyl(diethyl)azaniumyl]-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-diethylazanium dichloride

Names & synonyms

106405-64-5Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(benzyldiethyl-, dichloride(m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(benzyldiethylammonium chloride)RefChem:319025DTXSID109099993,3'-[1,3-Phenylenebis(oxy)]bis(N-benzyl-N,N-diethyl-2-hydroxypropan-1-aminium) dichloride

Database identifiers

CAS: 106405-64-5
PubChem CID: 60140
DTXSID: DTXSID10909999

Properties

Computed structural properties

Topological polar surface area: 58.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 18
Heavy atoms: 42
Formal charge: 0
Complexity: 602

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