2-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3-benzothiazol-3-ium iodide Formula: C17H18INOS MolecularWeight: 411.30039

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CCC3=CC=C(C=C3)OC.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CCC3=CC=C(C=C3)OC.[I-]

InChI

InChI=1S/C17H18NOS.HI/c1-18-15-5-3-4-6-16(15)20-17(18)12-9-13-7-10-14(19-2)11-8-13;/h3-8,10-11H,9,12H2,1-2H3;1H/q+1;/p-1