2-butan-2-yl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-butan-2-yl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-sec-butyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-butan-2-yl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-butan-2-yl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-sec-butyl-1,3-benzothiazol-3-ium iodide Formula: C11H14INS MolecularWeight: 319.20503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=[NH+]C2=CC=CC=C2S1.[I-]

Isomeric SMILES

CCC(C)C1=[NH+]C2=CC=CC=C2S1.[I-]

InChI

InChI=1S/C11H13NS.HI/c1-3-8(2)11-12-9-6-4-5-7-10(9)13-11;/h4-8H,3H2,1-2H3;1H