2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl 2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanoate diiodide

Systemtic Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl 2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanoate diiodide Openeye Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl 2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-acetate diiodide CAS Name: 2-(1-methyl-1-piperidin-1-iumyl)-2-phenylacetic acid 2-[2-(1-methyl-1-piperidin-1-iumyl)ethoxy]ethyl ester diiodide IUPAC Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl 2-(1-methylpiperidin-1-ium-1-yl)-2-phenylacetate diiodide Traditional Name: 2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-acetic acid 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl ester diiodide Formula: C24H40I2N2O3 MolecularWeight: 658.39494

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOCCOC(=O)C(C2=CC=CC=C2)[N+]3(CCCCC3)C.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCOCCOC(=O)C(C2=CC=CC=C2)[N+]3(CCCCC3)C.[I-].[I-]

InChI

InChI=1S/C24H40N2O3.2HI/c1-25(14-8-4-9-15-25)18-19-28-20-21-29-24(27)23(22-12-6-3-7-13-22)26(2)16-10-5-11-17-26;;/h3,6-7,12-13,23H,4-5,8-11,14-21H2,1-2H3;2*1H/q+2;;/p-2