3-methyl-2-phenyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium iodide Formula: C14H12INS MolecularWeight: 353.22125

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C14H12NS.HI/c1-15-12-9-5-6-10-13(12)16-14(15)11-7-3-2-4-8-11;/h2-10H,1H3;1H/q+1;/p-1