Piperidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-benzyl-, dichloride

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Basic information

CAS: 105730-57-2
Standard SMILES: OC(COc1cccc(OCC(O)C[N+]2(Cc3ccccc3)CCCCC2)c1)C[N+]1(Cc2ccccc2)CCCCC1.[Cl-].[Cl-]
InChIKey: DTUPRDSMMNGURO-UHFFFAOYSA-L
Molecular formula: C36H50Cl2N2O4
Average molar mass: 645.7 g/mol
Monoisotopic mass: 644.3147635

Names & identifiers

Preferred name: Piperidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-benzyl-, dichloride
IUPAC: 1-(1-benzylpiperidin-1-ium-1-yl)-3-[3-[3-(1-benzylpiperidin-1-ium-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol dichloride

Names & synonyms

Piperidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-benzyl-, dichloride105730-57-21,1'-(m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-benzylpiperidinium chloride)RefChem:373359DTXSID909096941,1'-{1,3-Phenylenebis[oxy(2-hydroxypropane-3,1-diyl)]}bis(1-benzylpiperidin-1-ium) dichloride

Database identifiers

CAS: 105730-57-2
PubChem CID: 3064784
DTXSID: DTXSID90909694

Properties

Computed structural properties

Topological polar surface area: 58.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 14
Heavy atoms: 44
Formal charge: 0
Complexity: 681

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Compound notes

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