3-(5-iodanylpentyl)-2-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-(5-iodanylpentyl)-2-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-(5-iodopentyl)-2-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-(5-iodopentyl)-2-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-(5-iodopentyl)-2-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-(5-iodopentyl)-2-methyl-1,3-benzothiazol-3-ium iodide Formula: C13H17I2NS MolecularWeight: 473.15472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCCI.[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCCI.[I-]

InChI

InChI=1S/C13H17INS.HI/c1-11-15(10-6-2-5-9-14)12-7-3-4-8-13(12)16-11;/h3-4,7-8H,2,5-6,9-10H2,1H3;1H/q+1;/p-1