triethyl-[2-[3-oxidanyl-4-(phenylcarbonyl)phenoxy]ethyl]azanium bromide

Systemtic Name: triethyl-[2-[3-oxidanyl-4-(phenylcarbonyl)phenoxy]ethyl]azanium bromide Openeye Name: 2-(4-benzoyl-3-hydroxy-phenoxy)ethyl-triethyl-ammonium bromide CAS Name: 2-(4-benzoyl-3-hydroxyphenoxy)ethyl-triethylammonium bromide IUPAC Name: 2-(4-benzoyl-3-hydroxyphenoxy)ethyl-triethylazanium bromide Traditional Name: 2-(4-benzoyl-3-hydroxy-phenoxy)ethyl-triethyl-ammonium bromide Formula: C21H28BrNO3 MolecularWeight: 422.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C21H27NO3.BrH/c1-4-22(5-2,6-3)14-15-25-18-12-13-19(20(23)16-18)21(24)17-10-8-7-9-11-17;/h7-13,16H,4-6,14-15H2,1-3H3;1H