3-ethyl-5-methoxy-2-(2-methylsulfanylbut-1-enyl)-1,3-benzoselenazol-3-ium iodide

Systemtic Name: 3-ethyl-5-methoxy-2-(2-methylsulfanylbut-1-enyl)-1,3-benzoselenazol-3-ium iodide Openeye Name: 3-ethyl-5-methoxy-2-(2-methylsulfanylbut-1-enyl)-1,3-benzoselenazol-3-ium iodide CAS Name: 3-ethyl-5-methoxy-2-[2-(methylthio)but-1-enyl]-1,3-benzoselenazol-3-ium iodide IUPAC Name: 3-ethyl-5-methoxy-2-(2-methylsulfanylbut-1-enyl)-1,3-benzoselenazol-3-ium iodide Traditional Name: 3-ethyl-5-methoxy-2-[2-(methylthio)but-1-enyl]-1,3-benzoselenazol-3-ium iodide Formula: C15H20INOSSe MolecularWeight: 468.25487

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CC)SC.[I-]

Isomeric SMILES

CCC(=CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CC)SC.[I-]

InChI

InChI=1S/C15H20NOSSe.HI/c1-5-12(18-4)10-15-16(6-2)13-9-11(17-3)7-8-14(13)19-15;/h7-10H,5-6H2,1-4H3;1H/q+1;/p-1