2-hydroxyethyl-dimethyl-(3-oxidanylidene-3-phenyl-propyl)azanium ethanoate iodide

Systemtic Name: 2-hydroxyethyl-dimethyl-(3-oxidanylidene-3-phenyl-propyl)azanium ethanoate iodide Openeye Name: 2-hydroxyethyl-dimethyl-(3-oxo-3-phenyl-propyl)ammonium acetate iodide CAS Name: 2-hydroxyethyl-dimethyl-(3-oxo-3-phenylpropyl)ammonium acetate iodide IUPAC Name: 2-hydroxyethyl-dimethyl-(3-oxo-3-phenylpropyl)azanium acetate iodide Traditional Name: 2-hydroxyethyl-(3-keto-3-phenyl-propyl)-dimethyl-ammonium acetate iodide Formula: C15H23INO4- MolecularWeight: 408.25189

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C[N+](C)(CCC(=O)C1=CC=CC=C1)CCO.[I-]

Isomeric SMILES

CC(=O)[O-].C[N+](C)(CCC(=O)C1=CC=CC=C1)CCO.[I-]

InChI

InChI=1S/C13H20NO2.C2H4O2.HI/c1-14(2,10-11-15)9-8-13(16)12-6-4-3-5-7-12;1-2(3)4;/h3-7,15H,8-11H2,1-2H3;1H3,(H,3,4);1H/q+1;;/p-2