(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridin-1-iumcarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-amino-3,5,6-trichloropyridin-1-ium-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C12H13Cl3N3O4+ MolecularWeight: 369.60832

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

InChI

InChI=1S/C12H12Cl3N3O4/c13-7-9(16)8(14)11(15)17-10(7)12(20)22-5-6(19)18-1-3-21-4-2-18/h1-5H2,(H2,16,17)/p+1