ethyl 1-[4-(3-ethoxycarbonylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[4-(3-ethoxycarbonylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[4-(3-ethoxycarbonylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[4-(3-ethoxycarbonyl-1-pyridin-1-iumyl)butyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-ethoxycarbonylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[4-(3-carbethoxypyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C20H26N2O4+2 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-3-25-19(23)17-9-7-13-21(15-17)11-5-6-12-22-14-8-10-18(16-22)20(24)26-4-2/h7-10,13-16H,3-6,11-12H2,1-2H3/q+2