[3-[3-acetyloxy-2-(phenylmethyl)butanoyl]oxy-2,2-dimethyl-propyl]-diethyl-azanium chloride

Systemtic Name: [3-[3-acetyloxy-2-(phenylmethyl)butanoyl]oxy-2,2-dimethyl-propyl]-diethyl-azanium chloride Openeye Name: [3-(3-acetoxy-2-benzyl-butanoyl)oxy-2,2-dimethyl-propyl]-diethyl-ammonium chloride CAS Name: [3-[3-acetyloxy-1-oxo-2-(phenylmethyl)butoxy]-2,2-dimethylpropyl]-diethylammonium chloride IUPAC Name: [3-(3-acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride Traditional Name: [3-(3-acetoxy-2-benzyl-butanoyl)oxy-2,2-dimethyl-propyl]-diethyl-ammonium chloride Formula: C22H36ClNO4 MolecularWeight: 413.97854

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C)(C)COC(=O)C(CC1=CC=CC=C1)C(C)OC(=O)C.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC(C)(C)COC(=O)C(CC1=CC=CC=C1)C(C)OC(=O)C.[Cl-]

InChI

InChI=1S/C22H35NO4.ClH/c1-7-23(8-2)15-22(5,6)16-26-21(25)20(17(3)27-18(4)24)14-19-12-10-9-11-13-19;/h9-13,17,20H,7-8,14-16H2,1-6H3;1H