1-(2,6-dimethylphenoxy)-3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(2,6-dimethylphenoxy)-3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(2,6-dimethylphenoxy)-3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(2,6-dimethylphenoxy)-3-(2-ethyl-3-methyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(2,6-dimethylphenoxy)-3-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(2,6-dimethylphenoxy)-3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C21H27IN2O2 MolecularWeight: 466.35575

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2N1CC(COC3=C(C=CC=C3C)C)O)C.[I-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1CC(COC3=C(C=CC=C3C)C)O)C.[I-]

InChI

InChI=1S/C21H27N2O2.HI/c1-5-20-22(4)18-11-6-7-12-19(18)23(20)13-17(24)14-25-21-15(2)9-8-10-16(21)3;/h6-12,17,24H,5,13-14H2,1-4H3;1H/q+1;/p-1