3-butyl-6-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-butyl-6-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-butyl-6-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-butyl-6-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-butyl-6-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-butyl-6-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide Formula: C13H18INOS MolecularWeight: 363.25759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NOS.HI/c1-4-5-8-14-10(2)16-13-9-11(15-3)6-7-12(13)14;/h6-7,9H,4-5,8H2,1-3H3;1H/q+1;/p-1