6-chloranyl-2,3-dimethyl-1,3-benzothiazol-3-ium

Systemtic Name: 6-chloranyl-2,3-dimethyl-1,3-benzothiazol-3-ium Openeye Name: 6-chloro-2,3-dimethyl-1,3-benzothiazol-3-ium CAS Name: 6-chloro-2,3-dimethyl-1,3-benzothiazol-3-ium IUPAC Name: 6-chloro-2,3-dimethyl-1,3-benzothiazol-3-ium Traditional Name: 6-chloro-2,3-dimethyl-1,3-benzothiazol-3-ium Formula: C9H9ClNS+ MolecularWeight: 198.69246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C=C2)Cl)C

Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C=C2)Cl)C

InChI

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