2-(4-isothiocyanatophenoxy)-1,3-dimethyl-benzimidazol-3-ium iodide

Systemtic Name: 2-(4-isothiocyanatophenoxy)-1,3-dimethyl-benzimidazol-3-ium iodide Openeye Name: 2-(4-isothiocyanatophenoxy)-1,3-dimethyl-benzimidazol-3-ium iodide CAS Name: 2-(4-isothiocyanatophenoxy)-1,3-dimethylbenzimidazol-3-ium iodide IUPAC Name: 2-(4-isothiocyanatophenoxy)-1,3-dimethylbenzimidazol-3-ium iodide Traditional Name: 2-(4-isothiocyanatophenoxy)-1,3-dimethyl-benzimidazol-3-ium iodide Formula: C16H14IN3OS MolecularWeight: 423.27133

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1OC3=CC=C(C=C3)N=C=S)C.[I-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1OC3=CC=C(C=C3)N=C=S)C.[I-]

InChI

InChI=1S/C16H14N3OS.HI/c1-18-14-5-3-4-6-15(14)19(2)16(18)20-13-9-7-12(8-10-13)17-11-21;/h3-10H,1-2H3;1H/q+1;/p-1