2-[(4-chloranyl-3-methyl-5H-1,2-thiazol-4-yl)carbonyloxy]ethyl-trimethyl-azanium chloride

Systemtic Name: 2-[(4-chloranyl-3-methyl-5H-1,2-thiazol-4-yl)carbonyloxy]ethyl-trimethyl-azanium chloride Openeye Name: 2-(4-chloro-3-methyl-5H-isothiazole-4-carbonyl)oxyethyl-trimethyl-ammonium chloride CAS Name: 2-[(4-chloro-3-methyl-5H-isothiazol-4-yl)-oxomethoxy]ethyl-trimethylammonium chloride IUPAC Name: 2-(4-chloro-3-methyl-5H-1,2-thiazole-4-carbonyl)oxyethyl-trimethylazanium chloride Traditional Name: 2-(4-chloro-3-methyl-2-isothiazoline-4-carbonyl)oxyethyl-trimethyl-ammonium chloride Formula: C10H18Cl2N2O2S MolecularWeight: 301.23312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSCC1(C(=O)OCC[N+](C)(C)C)Cl.[Cl-]

Isomeric SMILES

CC1=NSCC1(C(=O)OCC[N+](C)(C)C)Cl.[Cl-]

InChI

InChI=1S/C10H18ClN2O2S.ClH/c1-8-10(11,7-16-12-8)9(14)15-6-5-13(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1