diethyl 2-acetamido-2-[3-(4-aminocarbonylpyridin-1-ium-1-yl)propyl]propanedioate iodide

Systemtic Name: diethyl 2-acetamido-2-[3-(4-aminocarbonylpyridin-1-ium-1-yl)propyl]propanedioate iodide Openeye Name: diethyl 2-acetamido-2-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]propanedioate iodide CAS Name: 2-acetamido-2-[3-(4-carbamoyl-1-pyridin-1-iumyl)propyl]propanedioic acid diethyl ester iodide IUPAC Name: diethyl 2-acetamido-2-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]propanedioate iodide Traditional Name: 2-acetamido-2-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]malonic acid diethyl ester iodide Formula: C18H26IN3O6 MolecularWeight: 507.32001

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC[N+]1=CC=C(C=C1)C(=O)N)(C(=O)OCC)NC(=O)C.[I-]

Isomeric SMILES

CCOC(=O)C(CCC[N+]1=CC=C(C=C1)C(=O)N)(C(=O)OCC)NC(=O)C.[I-]

InChI

InChI=1S/C18H25N3O6.HI/c1-4-26-16(24)18(20-13(3)22,17(25)27-5-2)9-6-10-21-11-7-14(8-12-21)15(19)23;/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2-,19,20,22,23);1H