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

Systemtic Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] heptanoate iodide Openeye Name: [1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] heptanoate iodide CAS Name: heptanoic 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] heptanoate iodide Traditional Name: enanthic acid [1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester iodide Formula: C22H36INO4 MolecularWeight: 505.43001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36NO4.HI/c1-3-4-5-9-12-22(24)27-21(17-23(2)13-15-25-16-14-23)19-26-18-20-10-7-6-8-11-20;/h6-8,10-11,21H,3-5,9,12-19H2,1-2H3;1H/q+1;/p-1