3-ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium iodide Formula: C12H16INS MolecularWeight: 333.23161

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C(=C2)C)C)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C(=C2)C)C)C.[I-]

InChI

InChI=1S/C12H16NS.HI/c1-5-13-10(4)14-12-7-9(3)8(2)6-11(12)13;/h6-7H,5H2,1-4H3;1H/q+1;/p-1