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

Systemtic Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium iodide Formula: C10H12INS MolecularWeight: 305.17845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2S1)C.[I-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2S1)C.[I-]

InChI

InChI=1S/C10H12NS.HI/c1-3-10-11(2)8-6-4-5-7-9(8)12-10;/h4-7H,3H2,1-2H3;1H/q+1;/p-1