ethyl 1-[4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[4-(4-ethoxycarbonyl-1-pyridin-1-iumyl)but-2-ynyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[4-(4-carbethoxypyridin-1-ium-1-yl)but-2-ynyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C20H22N2O4+2 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-3-25-19(23)17-7-13-21(14-8-17)11-5-6-12-22-15-9-18(10-16-22)20(24)26-4-2/h7-10,13-16H,3-4,11-12H2,1-2H3/q+2