(3-ethoxy-3-oxidanylidene-1-pyridin-2-yl-propyl)azanium ethanoate

Systemtic Name: (3-ethoxy-3-oxidanylidene-1-pyridin-2-yl-propyl)azanium ethanoate Openeye Name: [3-ethoxy-3-oxo-1-(2-pyridyl)propyl]ammonium acetate CAS Name: [3-ethoxy-3-oxo-1-(2-pyridinyl)propyl]ammonium acetate IUPAC Name: (3-ethoxy-3-oxo-1-pyridin-2-ylpropyl)azanium acetate Traditional Name: [3-ethoxy-3-keto-1-(2-pyridyl)propyl]ammonium acetate Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=N1)[NH3+].CC(=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=N1)[NH3+].CC(=O)[O-]

InChI

InChI=1S/C10H14N2O2.C2H4O2/c1-2-14-10(13)7-8(11)9-5-3-4-6-12-9;1-2(3)4/h3-6,8H,2,7,11H2,1H3;1H3,(H,3,4)