1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol iodide

Systemtic Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol iodide Openeye Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol iodide CAS Name: 1-(2,3-dimethyl-1-benzimidazol-3-iumyl)-3-phenoxy-2-propanol iodide IUPAC Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-phenoxypropan-2-ol iodide Traditional Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol iodide Formula: C18H21IN2O2 MolecularWeight: 424.27601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C18H21N2O2.HI/c1-14-19(2)17-10-6-7-11-18(17)20(14)12-15(21)13-22-16-8-4-3-5-9-16;/h3-11,15,21H,12-13H2,1-2H3;1H/q+1;/p-1