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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32NO3.HI/c1-4-16-24(2,3)17-20(25)18-27-23-13-9-8-12-21(23)22(26)15-14-19-10-6-5-7-11-19;/h5-13,20,25H,4,14-18H2,1-3H3;1H/q+1;/p-1