2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 3,4,5-trimethoxybenzoate chloride

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 3,4,5-trimethoxybenzoate chloride Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester chloride IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester chloride Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=C[NH+]=CC=C2.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=C[NH+]=CC=C2.[Cl-]

InChI

InChI=1S/C18H20N2O6.ClH/c1-23-14-9-13(10-15(24-2)16(14)25-3)18(22)26-8-7-20-17(21)12-5-4-6-19-11-12;/h4-6,9-11H,7-8H2,1-3H3,(H,20,21);1H