3-(8-chloranyl-5-oxidanyl-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethyl-azanium chloride

Systemtic Name: 3-(8-chloranyl-5-oxidanyl-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylazanium chloride Traditional Name: 3-(8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethyl-ammonium chloride Formula: C15H23Cl2NO2 MolecularWeight: 320.25462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1(CCCOC2=C1C=CC(=C2)Cl)O.[Cl-]

Isomeric SMILES

C[NH+](C)CCCC1(CCCOC2=C1C=CC(=C2)Cl)O.[Cl-]

InChI

InChI=1S/C15H22ClNO2.ClH/c1-17(2)9-3-7-15(18)8-4-10-19-14-11-12(16)5-6-13(14)15;/h5-6,11,18H,3-4,7-10H2,1-2H3;1H