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

Systemtic Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] 2-phenylethanoate iodide Openeye Name: [1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] 2-phenylacetate iodide CAS Name: 2-phenylacetic 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] 2-phenylacetate iodide Traditional Name: 2-phenylacetic acid [1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester iodide Formula: C23H30INO4 MolecularWeight: 511.39307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(COCC2=CC=CC=C2)OC(=O)CC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CC(COCC2=CC=CC=C2)OC(=O)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H30NO4.HI/c1-24(12-14-26-15-13-24)17-22(19-27-18-21-10-6-3-7-11-21)28-23(25)16-20-8-4-2-5-9-20;/h2-11,22H,12-19H2,1H3;1H/q+1;/p-1