3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium bromide Formula: C12H16BrNS MolecularWeight: 286.23114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)C(C)(C)C.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)C(C)(C)C.[Br-]

InChI

InChI=1S/C12H16NS.BrH/c1-9-13(12(2,3)4)10-7-5-6-8-11(10)14-9;/h5-8H,1-4H3;1H/q+1;/p-1