[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [2-(2-furylmethylamino)-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-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-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-(2-furfurylamino)-2-keto-ethyl] ester Formula: C13H11Cl3N3O4+ MolecularWeight: 379.60314

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

InChI

InChI=1S/C13H10Cl3N3O4/c14-8-10(17)9(15)12(16)19-11(8)13(21)23-5-7(20)18-4-6-2-1-3-22-6/h1-3H,4-5H2,(H2,17,19)(H,18,20)/p+1