[3-(2-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-propyl]-dimethyl-azanium chloride

Systemtic Name: [3-(2-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-propyl]-dimethyl-azanium chloride Openeye Name: [3-(2-bromo-4,5-dimethoxy-phenyl)-3-oxo-propyl]-dimethyl-ammonium chloride CAS Name: [3-(2-bromo-4,5-dimethoxyphenyl)-3-oxopropyl]-dimethylammonium chloride IUPAC Name: [3-(2-bromo-4,5-dimethoxyphenyl)-3-oxopropyl]-dimethylazanium chloride Traditional Name: [3-(2-bromo-4,5-dimethoxy-phenyl)-3-keto-propyl]-dimethyl-ammonium chloride Formula: C13H19BrClNO3 MolecularWeight: 352.65186

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(=O)C1=CC(=C(C=C1Br)OC)OC.[Cl-]

Isomeric SMILES

C[NH+](C)CCC(=O)C1=CC(=C(C=C1Br)OC)OC.[Cl-]

InChI

InChI=1S/C13H18BrNO3.ClH/c1-15(2)6-5-11(16)9-7-12(17-3)13(18-4)8-10(9)14;/h7-8H,5-6H2,1-4H3;1H