3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl-trimethyl-azanium iodide

Systemtic Name: 3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl-trimethyl-azanium iodide Openeye Name: 3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl-trimethyl-ammonium iodide CAS Name: 3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl-trimethylammonium iodide IUPAC Name: 3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl-trimethylazanium iodide Traditional Name: 3-(5-chloro-2-keto-1,3-benzothiazol-3-yl)propyl-trimethyl-ammonium iodide Formula: C13H18ClIN2OS MolecularWeight: 412.71729

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C2=C(C=CC(=C2)Cl)SC1=O.[I-]

Isomeric SMILES

C[N+](C)(C)CCCN1C2=C(C=CC(=C2)Cl)SC1=O.[I-]

InChI

InChI=1S/C13H18ClN2OS.HI/c1-16(2,3)8-4-7-15-11-9-10(14)5-6-12(11)18-13(15)17;/h5-6,9H,4,7-8H2,1-3H3;1H/q+1;/p-1