1-(2,6-dimethylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(2,6-dimethylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(2,6-dimethylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(2,6-dimethylphenoxy)-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(2,6-dimethylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(2,6-dimethylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C21H27IN2O2 MolecularWeight: 466.35575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN2C=[N+](C3=C2C=C(C(=C3)C)C)C)O.[I-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CN2C=[N+](C3=C2C=C(C(=C3)C)C)C)O.[I-]

InChI

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