2-(2,3-dimethyl-1-phenyl-benzimidazol-3-ium-5-yl)-1,3-benzothiazole iodide

Systemtic Name: 2-(2,3-dimethyl-1-phenyl-benzimidazol-3-ium-5-yl)-1,3-benzothiazole iodide Openeye Name: 2-(2,3-dimethyl-1-phenyl-benzimidazol-3-ium-5-yl)-1,3-benzothiazole iodide CAS Name: 2-(2,3-dimethyl-1-phenyl-5-benzimidazol-3-iumyl)-1,3-benzothiazole iodide IUPAC Name: 2-(2,3-dimethyl-1-phenylbenzimidazol-3-ium-5-yl)-1,3-benzothiazole iodide Traditional Name: 2-(2,3-dimethyl-1-phenyl-benzimidazol-3-ium-5-yl)-1,3-benzothiazole iodide Formula: C22H18IN3S MolecularWeight: 483.36789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)C4=NC5=CC=CC=C5S4)C.[I-]

Isomeric SMILES

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)C4=NC5=CC=CC=C5S4)C.[I-]

InChI

InChI=1S/C22H18N3S.HI/c1-15-24(2)20-14-16(22-23-18-10-6-7-11-21(18)26-22)12-13-19(20)25(15)17-8-4-3-5-9-17;/h3-14H,1-2H3;1H/q+1;/p-1