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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)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-(propargylamino)ethyl] ester Formula: C11H9Cl3N3O3+ MolecularWeight: 337.56646

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

InChI

InChI=1S/C11H8Cl3N3O3/c1-2-3-16-5(18)4-20-11(19)9-6(12)8(15)7(13)10(14)17-9/h1H,3-4H2,(H2,15,17)(H,16,18)/p+1