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

Systemtic Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] benzoate iodide Openeye Name: [1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] benzoate iodide CAS Name: benzoic 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] benzoate iodide Traditional Name: benzoic acid [1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester iodide Formula: C22H28INO4 MolecularWeight: 497.36649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO4.HI/c1-23(12-14-25-15-13-23)16-21(18-26-17-19-8-4-2-5-9-19)27-22(24)20-10-6-3-7-11-20;/h2-11,21H,12-18H2,1H3;1H/q+1;/p-1