diethyl-methyl-[2-oxidanyl-3-[2-(3-phenylpropanoyl)phenoxy]propyl]azanium iodide

Systemtic Name: diethyl-methyl-[2-oxidanyl-3-[2-(3-phenylpropanoyl)phenoxy]propyl]azanium iodide Openeye Name: diethyl-[2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-methyl-ammonium iodide CAS Name: diethyl-[2-hydroxy-3-[2-(1-oxo-3-phenylpropyl)phenoxy]propyl]-methylammonium iodide IUPAC Name: diethyl-[2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-methylazanium iodide Traditional Name: diethyl-[3-(2-hydrocinnamoylphenoxy)-2-hydroxy-propyl]-methyl-ammonium iodide Formula: C23H32INO3 MolecularWeight: 497.40955

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.[I-]

Isomeric SMILES

CC[N+](C)(CC)CC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.[I-]

InChI

InChI=1S/C23H32NO3.HI/c1-4-24(3,5-2)17-20(25)18-27-23-14-10-9-13-21(23)22(26)16-15-19-11-7-6-8-12-19;/h6-14,20,25H,4-5,15-18H2,1-3H3;1H/q+1;/p-1