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

Systemtic Name: diethyl 2-acetamido-2-[3-(4-aminocarbonylpyridazin-1-ium-1-yl)propyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[3-(4-carbamoylpyridazin-1-ium-1-yl)propyl]propanedioate CAS Name: 2-acetamido-2-[3-(4-carbamoyl-1-pyridazin-1-iumyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[3-(4-carbamoylpyridazin-1-ium-1-yl)propyl]propanedioate Traditional Name: 2-acetamido-2-[3-(4-carbamoylpyridazin-1-ium-1-yl)propyl]malonic acid diethyl ester Formula: C17H25N4O6+ MolecularWeight: 381.4036

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6/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)/p+1