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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)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-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 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-(propylcarbamoylamino)ethyl] ester Formula: C12H14Cl3N4O4+ MolecularWeight: 384.62296

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

InChI

InChI=1S/C12H13Cl3N4O4/c1-2-3-17-12(22)18-5(20)4-23-11(21)9-6(13)8(16)7(14)10(15)19-9/h2-4H2,1H3,(H2,16,19)(H2,17,18,20,22)/p+1