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

Systemtic Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] 3-phenylpropanoate iodide Openeye Name: [1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] 3-phenylpropanoate iodide CAS Name: 3-phenylpropanoic 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] 3-phenylpropanoate iodide Traditional Name: 3-phenylpropionic acid [1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester iodide Formula: C24H32INO4 MolecularWeight: 525.41965

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(COCC2=CC=CC=C2)OC(=O)CCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CC(COCC2=CC=CC=C2)OC(=O)CCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C24H32NO4.HI/c1-25(14-16-27-17-15-25)18-23(20-28-19-22-10-6-3-7-11-22)29-24(26)13-12-21-8-4-2-5-9-21;/h2-11,23H,12-20H2,1H3;1H/q+1;/p-1