2-(5-chloranyl-2-oxidanyl-3-phenyl-phenyl)carbonyloxyethyl-di(propan-2-yl)azanium chloride

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-3-phenyl-phenyl)carbonyloxyethyl-di(propan-2-yl)azanium chloride Openeye Name: 2-(5-chloro-2-hydroxy-3-phenyl-benzoyl)oxyethyl-diisopropyl-ammonium chloride CAS Name: 2-[(5-chloro-2-hydroxy-3-phenylphenyl)-oxomethoxy]ethyl-di(propan-2-yl)ammonium chloride IUPAC Name: 2-(5-chloro-2-hydroxy-3-phenylbenzoyl)oxyethyl-di(propan-2-yl)azanium chloride Traditional Name: 2-(5-chloro-2-hydroxy-3-phenyl-benzoyl)oxyethyl-diisopropyl-ammonium chloride Formula: C21H27Cl2NO3 MolecularWeight: 412.34998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCOC(=O)C1=C(C(=CC(=C1)Cl)C2=CC=CC=C2)O)C(C)C.[Cl-]

Isomeric SMILES

CC(C)[NH+](CCOC(=O)C1=C(C(=CC(=C1)Cl)C2=CC=CC=C2)O)C(C)C.[Cl-]

InChI

InChI=1S/C21H26ClNO3.ClH/c1-14(2)23(15(3)4)10-11-26-21(25)19-13-17(22)12-18(20(19)24)16-8-6-5-7-9-16;/h5-9,12-15,24H,10-11H2,1-4H3;1H