(4-ethoxy-4-oxidanylidene-1-phenyl-butan-2-yl)azanium ethanoate

Systemtic Name: (4-ethoxy-4-oxidanylidene-1-phenyl-butan-2-yl)azanium ethanoate Openeye Name: (1-benzyl-3-ethoxy-3-oxo-propyl)ammonium acetate CAS Name: (4-ethoxy-4-oxo-1-phenylbutan-2-yl)ammonium acetate IUPAC Name: (4-ethoxy-4-oxo-1-phenylbutan-2-yl)azanium acetate Traditional Name: (1-benzyl-3-ethoxy-3-keto-propyl)ammonium acetate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC=CC=C1)[NH3+].CC(=O)[O-]

Isomeric SMILES

CCOC(=O)CC(CC1=CC=CC=C1)[NH3+].CC(=O)[O-]

InChI

InChI=1S/C12H17NO2.C2H4O2/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10;1-2(3)4/h3-7,11H,2,8-9,13H2,1H3;1H3,(H,3,4)