ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(3-ethoxycarbonyl-1-pyridin-1-iumyl)ethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(3-carbethoxypyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C18H22N2O4+2 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CC[N+]2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CC[N+]2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C18H22N2O4/c1-3-23-17(21)15-7-5-9-19(13-15)11-12-20-10-6-8-16(14-20)18(22)24-4-2/h5-10,13-14H,3-4,11-12H2,1-2H3/q+2