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

Systemtic Name: 5-chloranyl-3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide Formula: C10H11ClINS MolecularWeight: 339.62351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClNS.HI/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;/h4-6H,3H2,1-2H3;1H/q+1;/p-1