ethyl 2-(3,5-diethoxypyridin-1-ium-1-yl)ethanoate chloride

Systemtic Name: ethyl 2-(3,5-diethoxypyridin-1-ium-1-yl)ethanoate chloride Openeye Name: ethyl 2-(3,5-diethoxypyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(3,5-diethoxy-1-pyridin-1-iumyl)acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(3,5-diethoxypyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(3,5-diethoxypyridin-1-ium-1-yl)acetic acid ethyl ester chloride Formula: C13H20ClNO4 MolecularWeight: 289.7552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C[N+](=C1)CC(=O)OCC)OCC.[Cl-]

Isomeric SMILES

CCOC1=CC(=C[N+](=C1)CC(=O)OCC)OCC.[Cl-]

InChI

InChI=1S/C13H20NO4.ClH/c1-4-16-11-7-12(17-5-2)9-14(8-11)10-13(15)18-6-3;/h7-9H,4-6,10H2,1-3H3;1H/q+1;/p-1