(4-chloranyl-3-oxidanyl-1-phenyl-butyl)-dimethyl-azanium chloride

Systemtic Name: (4-chloranyl-3-oxidanyl-1-phenyl-butyl)-dimethyl-azanium chloride Openeye Name: (4-chloro-3-hydroxy-1-phenyl-butyl)-dimethyl-ammonium chloride CAS Name: (4-chloro-3-hydroxy-1-phenylbutyl)-dimethylammonium chloride IUPAC Name: (4-chloro-3-hydroxy-1-phenylbutyl)-dimethylazanium chloride Traditional Name: (4-chloro-3-hydroxy-1-phenyl-butyl)-dimethyl-ammonium chloride Formula: C12H19Cl2NO MolecularWeight: 264.19136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClNO.ClH/c1-14(2)12(8-11(15)9-13)10-6-4-3-5-7-10;/h3-7,11-12,15H,8-9H2,1-2H3;1H