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

Systemtic Name: [1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxy-propan-2-yl] octanoate iodide Openeye Name: [1-(benzyloxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] octanoate iodide CAS Name: octanoic 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] octanoate iodide Traditional Name: caprylic acid [1-(benzoxymethyl)-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester iodide Formula: C23H38INO4 MolecularWeight: 519.45659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38NO4.HI/c1-3-4-5-6-10-13-23(25)28-22(18-24(2)14-16-26-17-15-24)20-27-19-21-11-8-7-9-12-21;/h7-9,11-12,22H,3-6,10,13-20H2,1-2H3;1H/q+1;/p-1