3-ethyl-2-[2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole iodide

Systemtic Name: 3-ethyl-2-[2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole iodide Openeye Name: 3-ethyl-2-[2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylene]butylidene]-1,3-benzoxazole iodide CAS Name: 3-ethyl-2-[2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole iodide IUPAC Name: 3-ethyl-2-[2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole iodide Traditional Name: 3-ethyl-2-[2-[(3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium iodide Formula: C23H25IN2O2 MolecularWeight: 488.36127

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=CC=CC=C2O1)CC)C=C3N(C4=CC=CC=C4O3)CC.[I-]

Isomeric SMILES

CCC(=CC1=[N+](C2=CC=CC=C2O1)CC)C=C3N(C4=CC=CC=C4O3)CC.[I-]

InChI

InChI=1S/C23H25N2O2.HI/c1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;/h7-16H,4-6H2,1-3H3;1H/q+1;/p-1