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

Systemtic Name: diethyl 2-acetamido-2-[4-(4-aminocarbonylpyridazin-1-ium-1-yl)butyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[4-(4-carbamoylpyridazin-1-ium-1-yl)butyl]propanedioate CAS Name: 2-acetamido-2-[4-(4-carbamoyl-1-pyridazin-1-iumyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[4-(4-carbamoylpyridazin-1-ium-1-yl)butyl]propanedioate Traditional Name: 2-acetamido-2-[4-(4-carbamoylpyridazin-1-ium-1-yl)butyl]malonic acid diethyl ester Formula: C18H27N4O6+ MolecularWeight: 395.43018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O6/c1-4-27-16(25)18(21-13(3)23,17(26)28-5-2)9-6-7-10-22-11-8-14(12-20-22)15(19)24/h8,11-12H,4-7,9-10H2,1-3H3,(H2-,19,21,23,24)/p+1