2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate chloride

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate chloride Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate chloride CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester chloride IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate chloride Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester chloride Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)OCCNC(=O)C2=C[NH+]=CC=C2.[Cl-]

Isomeric SMILES

C1COC(=CO1)C(=O)OCCNC(=O)C2=C[NH+]=CC=C2.[Cl-]

InChI

InChI=1S/C13H14N2O5.ClH/c16-12(10-2-1-3-14-8-10)15-4-5-20-13(17)11-9-18-6-7-19-11;/h1-3,8-9H,4-7H2,(H,15,16);1H