(5-acetamido-2-ethoxy-phenyl)-bis(2-acetyloxyethyl)azanium ethanoate

Systemtic Name: (5-acetamido-2-ethoxy-phenyl)-bis(2-acetyloxyethyl)azanium ethanoate Openeye Name: (5-acetamido-2-ethoxy-phenyl)-bis(2-acetoxyethyl)ammonium acetate CAS Name: (5-acetamido-2-ethoxyphenyl)-bis(2-acetyloxyethyl)ammonium acetate IUPAC Name: (5-acetamido-2-ethoxyphenyl)-bis(2-acetyloxyethyl)azanium acetate Traditional Name: (5-acetamido-2-ethoxy-phenyl)-bis(2-acetoxyethyl)ammonium acetate Formula: C20H30N2O8 MolecularWeight: 426.4608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C)[NH+](CCOC(=O)C)CCOC(=O)C.CC(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C)[NH+](CCOC(=O)C)CCOC(=O)C.CC(=O)[O-]

InChI

InChI=1S/C18H26N2O6.C2H4O2/c1-5-24-18-7-6-16(19-13(2)21)12-17(18)20(8-10-25-14(3)22)9-11-26-15(4)23;1-2(3)4/h6-7,12H,5,8-11H2,1-4H3,(H,19,21);1H3,(H,3,4)