1-(3-ethyl-5-methyl-phenoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(3-ethyl-5-methyl-phenoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(3-ethyl-5-methyl-phenoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(3-ethyl-5-methylphenoxy)-3-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(3-ethyl-5-methylphenoxy)-3-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(3-ethyl-5-methyl-phenoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C23H31IN2O2 MolecularWeight: 494.40891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC(COC3=CC(=CC(=C3)CC)C)O)C.[I-]

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC(COC3=CC(=CC(=C3)CC)C)O)C.[I-]

InChI

InChI=1S/C23H31N2O2.HI/c1-5-9-23-24(4)21-10-7-8-11-22(21)25(23)15-19(26)16-27-20-13-17(3)12-18(6-2)14-20;/h7-8,10-14,19,26H,5-6,9,15-16H2,1-4H3;1H/q+1;/p-1