dimethyl-octyl-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]azanium iodide

Systemtic Name: dimethyl-octyl-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]azanium iodide Openeye Name: 2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl-dimethyl-octyl-ammonium iodide CAS Name: 2-(2-hydroxy-1-oxo-2,2-diphenylethoxy)ethyl-dimethyl-octylammonium iodide IUPAC Name: 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-octylazanium iodide Traditional Name: 2-benziloyloxyethyl-dimethyl-octyl-ammonium iodide Formula: C26H38INO3 MolecularWeight: 539.48929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[I-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[I-]

InChI

InChI=1S/C26H38NO3.HI/c1-4-5-6-7-8-15-20-27(2,3)21-22-30-25(28)26(29,23-16-11-9-12-17-23)24-18-13-10-14-19-24;/h9-14,16-19,29H,4-8,15,20-22H2,1-3H3;1H/q+1;/p-1