2-[2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-[2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[2-(2,5-dimethoxyphenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[2-(2,5-dimethoxyphenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium iodide Formula: C18H18INO2S MolecularWeight: 439.31049

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=C(C=CC(=C3)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C=CC3=C(C=CC(=C3)OC)OC.[I-]

InChI

InChI=1S/C18H18NO2S.HI/c1-19-15-6-4-5-7-17(15)22-18(19)11-8-13-12-14(20-2)9-10-16(13)21-3;/h4-12H,1-3H3;1H/q+1;/p-1