3-(2-chloroethyl)-1,3-benzothiazol-3-ium chloride

Systemtic Name: 3-(2-chloroethyl)-1,3-benzothiazol-3-ium chloride Openeye Name: 3-(2-chloroethyl)-1,3-benzothiazol-3-ium chloride CAS Name: 3-(2-chloroethyl)-1,3-benzothiazol-3-ium chloride IUPAC Name: 3-(2-chloroethyl)-1,3-benzothiazol-3-ium chloride Traditional Name: 3-(2-chloroethyl)-1,3-benzothiazol-3-ium chloride Formula: C9H9Cl2NS MolecularWeight: 234.14546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCCl.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCCl.[Cl-]

InChI

InChI=1S/C9H9ClNS.ClH/c10-5-6-11-7-12-9-4-2-1-3-8(9)11;/h1-4,7H,5-6H2;1H/q+1;/p-1