diethyl 1-ethylpyridin-1-ium-3,5-dicarboxylate

Systemtic Name: diethyl 1-ethylpyridin-1-ium-3,5-dicarboxylate Openeye Name: diethyl 1-ethylpyridin-1-ium-3,5-dicarboxylate CAS Name: 1-ethylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-ethylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 1-ethylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester Formula: C13H18NO4+ MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CC[N+]1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C13H18NO4/c1-4-14-8-10(12(15)17-5-2)7-11(9-14)13(16)18-6-3/h7-9H,4-6H2,1-3H3/q+1