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

Systemtic Name: diethyl 2-acetamido-2-[3-(4-aminocarbonylpyridazin-1-ium-1-yl)propyl]propanedioate iodide Openeye Name: diethyl 2-acetamido-2-[3-(4-carbamoylpyridazin-1-ium-1-yl)propyl]propanedioate iodide CAS Name: 2-acetamido-2-[3-(4-carbamoyl-1-pyridazin-1-iumyl)propyl]propanedioic acid diethyl ester iodide IUPAC Name: diethyl 2-acetamido-2-[3-(4-carbamoylpyridazin-1-ium-1-yl)propyl]propanedioate iodide Traditional Name: 2-acetamido-2-[3-(4-carbamoylpyridazin-1-ium-1-yl)propyl]malonic acid diethyl ester iodide Formula: C17H25IN4O6 MolecularWeight: 508.30807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6.HI/c1-4-26-15(24)17(20-12(3)22,16(25)27-5-2)8-6-9-21-10-7-13(11-19-21)14(18)23;/h7,10-11H,4-6,8-9H2,1-3H3,(H2-,18,20,22,23);1H