(4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxidanylidene-3-phenyl-butyl)azanium chloride

Systemtic Name: (4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxidanylidene-3-phenyl-butyl)azanium chloride Openeye Name: (4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxo-3-phenyl-butyl)ammonium chloride CAS Name: (4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxo-3-phenylbutyl)ammonium chloride IUPAC Name: (4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxo-3-phenylbutyl)azanium chloride Traditional Name: (3-carbethoxy-4-ethoxy-4-keto-2-methyl-3-phenyl-butyl)ammonium chloride Formula: C16H24ClNO4 MolecularWeight: 329.81906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)(C(C)C[NH3+])C(=O)OCC.[Cl-]

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)(C(C)C[NH3+])C(=O)OCC.[Cl-]

InChI

InChI=1S/C16H23NO4.ClH/c1-4-20-14(18)16(12(3)11-17,15(19)21-5-2)13-9-7-6-8-10-13;/h6-10,12H,4-5,11,17H2,1-3H3;1H