2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide

Systemtic Name: 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide Openeye Name: 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)ammonium iodide CAS Name: 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)ammonium iodide IUPAC Name: 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide Traditional Name: dimethyl-(octoxymethyl)-piazthiol-5-yl-ammonium iodide Formula: C17H28IN3OS MolecularWeight: 449.39319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC[N+](C)(C)C1=CC2=NSN=C2C=C1.[I-]

Isomeric SMILES

CCCCCCCCOC[N+](C)(C)C1=CC2=NSN=C2C=C1.[I-]

InChI

InChI=1S/C17H28N3OS.HI/c1-4-5-6-7-8-9-12-21-14-20(2,3)15-10-11-16-17(13-15)19-22-18-16;/h10-11,13H,4-9,12,14H2,1-3H3;1H/q+1;/p-1