1-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]naphthalen-2-ol iodide

Systemtic Name: 1-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]naphthalen-2-ol iodide Openeye Name: 1-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]naphthalen-2-ol iodide CAS Name: 1-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-naphthalenol iodide IUPAC Name: 1-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]naphthalen-2-ol iodide Traditional Name: 1-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-2-naphthol iodide Formula: C21H18INOS MolecularWeight: 459.34319

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC3=C(C=CC4=CC=CC=C43)O.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=C(C=CC4=CC=CC=C43)O.[I-]

InChI

InChI=1S/C21H17NOS.HI/c1-2-22-18-9-5-6-10-20(18)24-21(22)14-12-17-16-8-4-3-7-15(16)11-13-19(17)23;/h3-14H,2H2,1H3;1H