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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)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-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 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-piperidino-ethyl) ester Formula: C13H15Cl3N3O3+ MolecularWeight: 367.6355

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

InChI

InChI=1S/C13H14Cl3N3O3/c14-8-10(17)9(15)12(16)18-11(8)13(21)22-6-7(20)19-4-2-1-3-5-19/h1-6H2,(H2,17,18)/p+1