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

Systemtic Name: 1-(3-chloranylphenoxy)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(3-chlorophenoxy)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(3-chlorophenoxy)-3-(2,3-dimethyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(3-chlorophenoxy)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(3-chlorophenoxy)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C18H20ClIN2O2 MolecularWeight: 458.72107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN2O2.HI/c1-13-20(2)17-8-3-4-9-18(17)21(13)11-15(22)12-23-16-7-5-6-14(19)10-16;/h3-10,15,22H,11-12H2,1-2H3;1H/q+1;/p-1