2-(4-butanoyl-3-oxidanyl-phenoxy)ethyl-dimethyl-azanium chloride

Systemtic Name: 2-(4-butanoyl-3-oxidanyl-phenoxy)ethyl-dimethyl-azanium chloride Openeye Name: 2-(4-butanoyl-3-hydroxy-phenoxy)ethyl-dimethyl-ammonium chloride CAS Name: 2-[3-hydroxy-4-(1-oxobutyl)phenoxy]ethyl-dimethylammonium chloride IUPAC Name: 2-(4-butanoyl-3-hydroxyphenoxy)ethyl-dimethylazanium chloride Traditional Name: 2-(4-butyryl-3-hydroxy-phenoxy)ethyl-dimethyl-ammonium chloride Formula: C14H22ClNO3 MolecularWeight: 287.78238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C(C=C1)OCC[NH+](C)C)O.[Cl-]

Isomeric SMILES

CCCC(=O)C1=C(C=C(C=C1)OCC[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C14H21NO3.ClH/c1-4-5-13(16)12-7-6-11(10-14(12)17)18-9-8-15(2)3;/h6-7,10,17H,4-5,8-9H2,1-3H3;1H