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

Systemtic Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide Formula: C11H14INS MolecularWeight: 319.20503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14NS.HI/c1-4-12-9(3)13-11-6-5-8(2)7-10(11)12;/h5-7H,4H2,1-3H3;1H/q+1;/p-1