3-ethyl-4-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-4-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-4-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-4-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-4-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-4-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide Formula: C11H14INOS MolecularWeight: 335.20443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14NOS.HI/c1-4-12-8(2)14-10-7-5-6-9(13-3)11(10)12;/h5-7H,4H2,1-3H3;1H/q+1;/p-1