[3-(4-methylmorpholin-4-ium-4-yl)-2-oxidanyl-propyl] adamantane-1-carboxylate iodide

Systemtic Name: [3-(4-methylmorpholin-4-ium-4-yl)-2-oxidanyl-propyl] adamantane-1-carboxylate iodide Openeye Name: [2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] adamantane-1-carboxylate iodide CAS Name: 1-adamantanecarboxylic 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] adamantane-1-carboxylate iodide Traditional Name: adamantane-1-carboxylic acid [2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] ester iodide Formula: C19H32INO4 MolecularWeight: 465.36615

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(COC(=O)C23CC4CC(C2)CC(C4)C3)O.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CC(COC(=O)C23CC4CC(C2)CC(C4)C3)O.[I-]

InChI

InChI=1S/C19H32NO4.HI/c1-20(2-4-23-5-3-20)12-17(21)13-24-18(22)19-9-14-6-15(10-19)8-16(7-14)11-19;/h14-17,21H,2-13H2,1H3;1H/q+1;/p-1