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

Systemtic Name: 2-(4-butanoyl-3-oxidanyl-phenoxy)ethyl-diethyl-azanium chloride Openeye Name: 2-(4-butanoyl-3-hydroxy-phenoxy)ethyl-diethyl-ammonium chloride CAS Name: diethyl-[2-[3-hydroxy-4-(1-oxobutyl)phenoxy]ethyl]ammonium chloride IUPAC Name: 2-(4-butanoyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride Traditional Name: 2-(4-butyryl-3-hydroxy-phenoxy)ethyl-diethyl-ammonium chloride Formula: C16H26ClNO3 MolecularWeight: 315.83554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3.ClH/c1-4-7-15(18)14-9-8-13(12-16(14)19)20-11-10-17(5-2)6-3;/h8-9,12,19H,4-7,10-11H2,1-3H3;1H