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

Systemtic Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate ditetrafluoroborate Openeye Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate ditetrafluoroborate CAS Name: 1-[2-(3-ethoxycarbonyl-1-pyridin-1-iumyl)ethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester ditetrafluoroborate IUPAC Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate ditetrafluoroborate Traditional Name: 1-[2-(3-carbethoxypyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester ditetrafluoroborate Formula: C18H22B2F8N2O4 MolecularWeight: 503.987506

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCOC(=O)C1=C[N+](=CC=C1)CC[N+]2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCOC(=O)C1=C[N+](=CC=C1)CC[N+]2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C18H22N2O4.2BF4/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;2*2-1(3,4)5/h5-10,13-14H,3-4,11-12H2,1-2H3;;/q+2;2*-1