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

Systemtic Name: 1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol iodide Openeye Name: 1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol iodide CAS Name: 1-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)-3-phenoxy-2-propanol iodide IUPAC Name: 1-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)-3-phenoxypropan-2-ol iodide Traditional Name: 1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol iodide Formula: C20H25IN2O2 MolecularWeight: 452.32917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N2O2.HI/c1-3-9-20-21(2)18-12-7-8-13-19(18)22(20)14-16(23)15-24-17-10-5-4-6-11-17;/h4-8,10-13,16,23H,3,9,14-15H2,1-2H3;1H/q+1;/p-1