3-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-methyl-1,3-benzothiazol-3-ium iodide Formula: C8H8INS MolecularWeight: 277.12529

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CSC2=CC=CC=C21.[I-]

Isomeric SMILES

C[N+]1=CSC2=CC=CC=C21.[I-]

InChI

InChI=1S/C8H8NS.HI/c1-9-6-10-8-5-3-2-4-7(8)9;/h2-6H,1H3;1H/q+1;/p-1