2-(2-hexanoylphenoxy)ethyl-dimethyl-azanium chloride

Systemtic Name: 2-(2-hexanoylphenoxy)ethyl-dimethyl-azanium chloride Openeye Name: 2-(2-hexanoylphenoxy)ethyl-dimethyl-ammonium chloride CAS Name: dimethyl-[2-[2-(1-oxohexyl)phenoxy]ethyl]ammonium chloride IUPAC Name: 2-(2-hexanoylphenoxy)ethyl-dimethylazanium chloride Traditional Name: 2-(2-caproylphenoxy)ethyl-dimethyl-ammonium chloride Formula: C16H26ClNO2 MolecularWeight: 299.83614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=CC=C1OCC[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCCC(=O)C1=CC=CC=C1OCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C16H25NO2.ClH/c1-4-5-6-10-15(18)14-9-7-8-11-16(14)19-13-12-17(2)3;/h7-9,11H,4-6,10,12-13H2,1-3H3;1H