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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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