6-chloranyl-3-methyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 6-chloranyl-3-methyl-1,3-benzothiazol-3-ium bromide Openeye Name: 6-chloro-3-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 6-chloro-3-methyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 6-chloro-3-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 6-chloro-3-methyl-1,3-benzothiazol-3-ium bromide Formula: C8H7BrClNS MolecularWeight: 264.56988

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CSC2=C1C=CC(=C2)Cl.[Br-]

Isomeric SMILES

C[N+]1=CSC2=C1C=CC(=C2)Cl.[Br-]

InChI

InChI=1S/C8H7ClNS.BrH/c1-10-5-11-8-4-6(9)2-3-7(8)10;/h2-5H,1H3;1H/q+1;/p-1