(2Z)-3-ethyl-2-[[1-(2-methyl-1-phenyl-benzimidazol-5-yl)pyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole iodide

Systemtic Name: (2Z)-3-ethyl-2-[[1-(2-methyl-1-phenyl-benzimidazol-5-yl)pyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-3-ethyl-2-[[1-(2-methyl-1-phenyl-benzimidazol-5-yl)pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-2-[[1-(2-methyl-1-phenyl-5-benzimidazolyl)-4-pyridin-1-iumyl]methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-2-[[1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-3-ethyl-2-[[1-(2-methyl-1-phenyl-benzimidazol-5-yl)pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole iodide Formula: C29H25IN4S MolecularWeight: 588.50507

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC=[N+](C=C3)C4=CC5=C(C=C4)N(C(=N5)C)C6=CC=CC=C6.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C=C3)C4=CC5=C(C=C4)N(C(=N5)C)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C29H25N4S.HI/c1-3-32-27-11-7-8-12-28(27)34-29(32)19-22-15-17-31(18-16-22)24-13-14-26-25(20-24)30-21(2)33(26)23-9-5-4-6-10-23;/h4-20H,3H2,1-2H3;1H/q+1;/p-1