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

Systemtic Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] pentanoate iodide Openeye Name: [1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] pentanoate iodide CAS Name: pentanoic 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] pentanoate iodide Traditional Name: valeric acid [1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester iodide Formula: C20H32INO4 MolecularWeight: 477.37685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32NO4.HI/c1-3-4-10-20(22)25-19(15-21(2)11-13-23-14-12-21)17-24-16-18-8-6-5-7-9-18;/h5-9,19H,3-4,10-17H2,1-2H3;1H/q+1;/p-1