3,6-dimethyl-1,3-benzothiazol-3-ium chloride

Systemtic Name: 3,6-dimethyl-1,3-benzothiazol-3-ium chloride Openeye Name: 3,6-dimethyl-1,3-benzothiazol-3-ium chloride CAS Name: 3,6-dimethyl-1,3-benzothiazol-3-ium chloride IUPAC Name: 3,6-dimethyl-1,3-benzothiazol-3-ium chloride Traditional Name: 3,6-dimethyl-1,3-benzothiazol-3-ium chloride Formula: C9H10ClNS MolecularWeight: 199.7004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=CS2)C.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=CS2)C.[Cl-]

InChI

InChI=1S/C9H10NS.ClH/c1-7-3-4-8-9(5-7)11-6-10(8)2;/h3-6H,1-2H3;1H/q+1;/p-1