3-(4-bromanylbutyl)-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-(4-bromanylbutyl)-1,3-benzothiazol-3-ium iodide Openeye Name: 3-(4-bromobutyl)-1,3-benzothiazol-3-ium iodide CAS Name: 3-(4-bromobutyl)-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-(4-bromobutyl)-1,3-benzothiazol-3-ium iodide Traditional Name: 3-(4-bromobutyl)-1,3-benzothiazol-3-ium iodide Formula: C11H13BrINS MolecularWeight: 398.10109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCCCBr.[I-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCCCBr.[I-]

InChI

InChI=1S/C11H13BrNS.HI/c12-7-3-4-8-13-9-14-11-6-2-1-5-10(11)13;/h1-2,5-6,9H,3-4,7-8H2;1H/q+1;/p-1