2-butyl-4-chloranyl-2H-1,2-thiazol-2-ium-5-one chloride

Systemtic Name: 2-butyl-4-chloranyl-2H-1,2-thiazol-2-ium-5-one chloride Openeye Name: 2-butyl-4-chloro-2H-isothiazol-2-ium-5-one chloride CAS Name: 2-butyl-4-chloro-2H-isothiazol-2-ium-5-one chloride IUPAC Name: 2-butyl-4-chloro-2H-1,2-thiazol-2-ium-5-one chloride Traditional Name: 2-butyl-4-chloro-3-isothiazolin-2-ium-5-one chloride Formula: C7H11Cl2NOS MolecularWeight: 228.13934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1C=C(C(=O)S1)Cl.[Cl-]

Isomeric SMILES

CCCC[NH+]1C=C(C(=O)S1)Cl.[Cl-]

InChI

InChI=1S/C7H10ClNOS.ClH/c1-2-3-4-9-5-6(8)7(10)11-9;/h5H,2-4H2,1H3;1H