[1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] propanoate iodide

Systemtic Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] propanoate iodide Openeye Name: [1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] propanoate iodide CAS Name: propanoic acid [1-(4-methyl-4-morpholin-4-iumyl)-3-phenylmethoxypropan-2-yl] ester iodide IUPAC Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxypropan-2-yl] propanoate iodide Traditional Name: propionic acid [1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester iodide Formula: C18H28INO4 MolecularWeight: 449.32369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C[N+]1(CCOCC1)C)COCC2=CC=CC=C2.[I-]

Isomeric SMILES

CCC(=O)OC(C[N+]1(CCOCC1)C)COCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C18H28NO4.HI/c1-3-18(20)23-17(13-19(2)9-11-21-12-10-19)15-22-14-16-7-5-4-6-8-16;/h4-8,17H,3,9-15H2,1-2H3;1H/q+1;/p-1