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

Systemtic Name: 3,6-dimethyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3,6-dimethyl-1,3-benzothiazol-3-ium bromide CAS Name: 3,6-dimethyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3,6-dimethyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3,6-dimethyl-1,3-benzothiazol-3-ium bromide Formula: C9H10BrNS MolecularWeight: 244.1514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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