[3-(4-methylmorpholin-4-ium-4-yl)-2-oxidanyl-propyl] 2-(1-adamantyl)ethanoate iodide

Systemtic Name: [3-(4-methylmorpholin-4-ium-4-yl)-2-oxidanyl-propyl] 2-(1-adamantyl)ethanoate iodide Openeye Name: [2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] 2-(1-adamantyl)acetate iodide CAS Name: 2-(1-adamantyl)acetic acid [2-hydroxy-3-(4-methyl-4-morpholin-4-iumyl)propyl] ester iodide IUPAC Name: [2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] 2-(1-adamantyl)acetate iodide Traditional Name: 2-(1-adamantyl)acetic acid [2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] ester iodide Formula: C20H34INO4 MolecularWeight: 479.39273

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(COC(=O)CC23CC4CC(C2)CC(C4)C3)O.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CC(COC(=O)CC23CC4CC(C2)CC(C4)C3)O.[I-]

InChI

InChI=1S/C20H34NO4.HI/c1-21(2-4-24-5-3-21)13-18(22)14-25-19(23)12-20-9-15-6-16(10-20)8-17(7-15)11-20;/h15-18,22H,2-14H2,1H3;1H/q+1;/p-1