1-(4-methoxyphenoxy)-3-(3-methyl-2-propan-2-yl-benzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(4-methoxyphenoxy)-3-(3-methyl-2-propan-2-yl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(2-isopropyl-3-methyl-benzimidazol-3-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol iodide CAS Name: 1-(4-methoxyphenoxy)-3-(3-methyl-2-propan-2-yl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(4-methoxyphenoxy)-3-(3-methyl-2-propan-2-ylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(2-isopropyl-3-methyl-benzimidazol-3-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol iodide Formula: C21H27IN2O3 MolecularWeight: 482.35515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C2=CC=CC=C2N1CC(COC3=CC=C(C=C3)OC)O)C.[I-]

Isomeric SMILES

CC(C)C1=[N+](C2=CC=CC=C2N1CC(COC3=CC=C(C=C3)OC)O)C.[I-]

InChI

InChI=1S/C21H27N2O3.HI/c1-15(2)21-22(3)19-7-5-6-8-20(19)23(21)13-16(24)14-26-18-11-9-17(25-4)10-12-18;/h5-12,15-16,24H,13-14H2,1-4H3;1H/q+1;/p-1