3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide

Systemtic Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide Openeye Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide CAS Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide IUPAC Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide Traditional Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide Formula: C21H21IN2OS MolecularWeight: 476.37371

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]

Isomeric SMILES

CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]

InChI

InChI=1S/C21H21N2OS.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1