3-ethyl-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium iodide Formula: C12H16INOS MolecularWeight: 349.23101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NOS.HI/c1-5-13-9(3)15-12-7-11(14-4)8(2)6-10(12)13;/h6-7H,5H2,1-4H3;1H/q+1;/p-1