2-(4-methylmorpholin-4-ium-4-yl)ethyl 15-phenylpentadecanoate iodide

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 15-phenylpentadecanoate iodide Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 15-phenylpentadecanoate iodide CAS Name: 15-phenylpentadecanoic acid 2-(4-methyl-4-morpholin-4-iumyl)ethyl ester iodide IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 15-phenylpentadecanoate iodide Traditional Name: 15-phenylpentadecanoic acid 2-(4-methylmorpholin-4-ium-4-yl)ethyl ester iodide Formula: C28H48INO3 MolecularWeight: 573.59009

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCOC(=O)CCCCCCCCCCCCCCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CCOC(=O)CCCCCCCCCCCCCCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C28H48NO3.HI/c1-29(21-24-31-25-22-29)23-26-32-28(30)20-16-11-9-7-5-3-2-4-6-8-10-13-17-27-18-14-12-15-19-27;/h12,14-15,18-19H,2-11,13,16-17,20-26H2,1H3;1H/q+1;/p-1