3-ethyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-[(E)-2-(2-methoxyphenyl)vinyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-[(E)-2-(2-methoxyphenyl)vinyl]-1,3-benzothiazol-3-ium iodide Formula: C18H18INOS MolecularWeight: 423.31109

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=CC=C3OC.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=CC=C3OC.[I-]

InChI

InChI=1S/C18H18NOS.HI/c1-3-19-15-9-5-7-11-17(15)21-18(19)13-12-14-8-4-6-10-16(14)20-2;/h4-13H,3H2,1-2H3;1H/q+1;/p-1/b13-12+;