[3-(2-acetamido-3-methoxy-3-oxidanylidene-propyl)phenyl]azanium ethanoate

Systemtic Name: [3-(2-acetamido-3-methoxy-3-oxidanylidene-propyl)phenyl]azanium ethanoate Openeye Name: [3-(2-acetamido-3-methoxy-3-oxo-propyl)phenyl]ammonium acetate CAS Name: [3-(2-acetamido-3-methoxy-3-oxopropyl)phenyl]ammonium acetate IUPAC Name: [3-(2-acetamido-3-methoxy-3-oxopropyl)phenyl]azanium acetate Traditional Name: [3-(2-acetamido-3-keto-3-methoxy-propyl)phenyl]ammonium acetate Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=CC=C1)[NH3+])C(=O)OC.CC(=O)[O-]

Isomeric SMILES

CC(=O)NC(CC1=CC(=CC=C1)[NH3+])C(=O)OC.CC(=O)[O-]

InChI

InChI=1S/C12H16N2O3.C2H4O2/c1-8(15)14-11(12(16)17-2)7-9-4-3-5-10(13)6-9;1-2(3)4/h3-6,11H,7,13H2,1-2H3,(H,14,15);1H3,(H,3,4)