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4,7-dimethoxy-2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide

4,7-dimethoxy-2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide

Systemtic Name:4,7-dimethoxy-2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide
Openeye Name:4,7-dimethoxy-2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide
CAS Name:4,7-dimethoxy-2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide
IUPAC Name:4,7-dimethoxy-2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide
Traditional Name:4,7-dimethoxy-2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide
Formula: C13H18INO2S
MolecularWeight: 379.25699
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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(SC2=C(C=CC(=C21)OC)OC)C.[I-]


Isomeric SMILES

CCC[N+]1=C(SC2=C(C=CC(=C21)OC)OC)C.[I-]


InChI

InChI=1S/C13H18NO2S.HI/c1-5-8-14-9(2)17-13-11(16-4)7-6-10(15-3)12(13)14;/h6-7H,5,8H2,1-4H3;1H/q+1;/p-1


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