3-chloranyl-2-ethyl-1,2-benzothiazol-2-ium chloride

Systemtic Name: 3-chloranyl-2-ethyl-1,2-benzothiazol-2-ium chloride Openeye Name: 3-chloro-2-ethyl-1,2-benzothiazol-2-ium chloride CAS Name: 3-chloro-2-ethyl-1,2-benzothiazol-2-ium chloride IUPAC Name: 3-chloro-2-ethyl-1,2-benzothiazol-2-ium chloride Traditional Name: 3-chloro-2-ethyl-1,2-benzothiazol-2-ium chloride Formula: C9H9Cl2NS MolecularWeight: 234.14546

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC=CC=C2S1)Cl.[Cl-]

Isomeric SMILES

CC[N+]1=C(C2=CC=CC=C2S1)Cl.[Cl-]

InChI

InChI=1S/C9H9ClNS.ClH/c1-2-11-9(10)7-5-3-4-6-8(7)12-11;/h3-6H,2H2,1H3;1H/q+1;/p-1