2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyloxy]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyloxy]ethyl-dimethyl-azanium chloride Openeye Name: 2-(3-chlorobenzothiophene-2-carbonyl)oxyethyl-dimethyl-ammonium chloride CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)-oxomethoxy]ethyl-dimethylammonium chloride IUPAC Name: 2-(3-chloro-1-benzothiophene-2-carbonyl)oxyethyl-dimethylazanium chloride Traditional Name: 2-(3-chlorobenzothiophene-2-carbonyl)oxyethyl-dimethyl-ammonium chloride Formula: C13H15Cl2NO2S MolecularWeight: 320.2347

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC(=O)C1=C(C2=CC=CC=C2S1)Cl.[Cl-]

Isomeric SMILES

C[NH+](C)CCOC(=O)C1=C(C2=CC=CC=C2S1)Cl.[Cl-]

InChI

InChI=1S/C13H14ClNO2S.ClH/c1-15(2)7-8-17-13(16)12-11(14)9-5-3-4-6-10(9)18-12;/h3-6H,7-8H2,1-2H3;1H