3-phenylpropyl 2-(4-methylmorpholin-4-ium-4-yl)ethanoate iodide

Systemtic Name: 3-phenylpropyl 2-(4-methylmorpholin-4-ium-4-yl)ethanoate iodide Openeye Name: 3-phenylpropyl 2-(4-methylmorpholin-4-ium-4-yl)acetate iodide CAS Name: 2-(4-methyl-4-morpholin-4-iumyl)acetic acid 3-phenylpropyl ester iodide IUPAC Name: 3-phenylpropyl 2-(4-methylmorpholin-4-ium-4-yl)acetate iodide Traditional Name: 2-(4-methylmorpholin-4-ium-4-yl)acetic acid 3-phenylpropyl ester iodide Formula: C16H24INO3 MolecularWeight: 405.27113

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(=O)OCCCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CC(=O)OCCCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C16H24NO3.HI/c1-17(9-12-19-13-10-17)14-16(18)20-11-5-8-15-6-3-2-4-7-15;/h2-4,6-7H,5,8-14H2,1H3;1H/q+1;/p-1