1-(4-methoxyphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(4-methoxyphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(4-methoxyphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(4-methoxyphenoxy)-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(4-methoxyphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(4-methoxyphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C20H25IN2O3 MolecularWeight: 468.32857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=C(C=C3)OC)O)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=C(C=C3)OC)O)C.[I-]

InChI

InChI=1S/C20H25N2O3.HI/c1-14-9-19-20(10-15(14)2)22(13-21(19)3)11-16(23)12-25-18-7-5-17(24-4)6-8-18;/h5-10,13,16,23H,11-12H2,1-4H3;1H/q+1;/p-1