(2-acetamido-1,1-dideuterio-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-trimethyl-azanium iodide

Systemtic Name: (2-acetamido-1,1-dideuterio-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-trimethyl-azanium iodide Openeye Name: (2-acetamido-1,1-dideuterio-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)-trimethyl-ammonium iodide CAS Name: (2-acetamido-1,1-dideuterio-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-trimethylammonium iodide IUPAC Name: (2-acetamido-1,1-dideuterio-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-trimethylazanium iodide Traditional Name: (2-acetamido-2-carbethoxy-1,1-dideuterio-3-ethoxy-3-keto-propyl)-trimethyl-ammonium iodide Formula: C13H25IN2O5 MolecularWeight: 418.264794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[N+](C)(C)C)(C(=O)OCC)NC(=O)C.[I-]

Isomeric SMILES

[2H]C([2H])(C(C(=O)OCC)(C(=O)OCC)NC(=O)C)[N+](C)(C)C.[I-]

InChI

InChI=1S/C13H24N2O5.HI/c1-7-19-11(17)13(14-10(3)16,9-15(4,5)6)12(18)20-8-2;/h7-9H2,1-6H3;1H/i9D2;