diethyl 2-[(1-ethylpyridin-1-ium-4-yl)methylidene]propanedioate

Systemtic Name: diethyl 2-[(1-ethylpyridin-1-ium-4-yl)methylidene]propanedioate Openeye Name: diethyl 2-[(1-ethylpyridin-1-ium-4-yl)methylene]propanedioate CAS Name: 2-[(1-ethyl-4-pyridin-1-iumyl)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1-ethylpyridin-1-ium-4-yl)methylidene]propanedioate Traditional Name: 2-[(1-ethylpyridin-1-ium-4-yl)methylene]malonic acid diethyl ester Formula: C15H20NO4+ MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20NO4/c1-4-16-9-7-12(8-10-16)11-13(14(17)19-5-2)15(18)20-6-3/h7-11H,4-6H2,1-3H3/q+1