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

Systemtic Name: 1-cyclohexyloxy-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(cyclohexoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-cyclohexyloxy-3-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-cyclohexyloxy-3-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(cyclohexoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C20H31IN2O2 MolecularWeight: 458.37681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC(COC3CCCCC3)O)C.[I-]

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC(COC3CCCCC3)O)C.[I-]

InChI

InChI=1S/C20H31N2O2.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;/h7-8,12-13,16-17,23H,3-6,9-11,14-15H2,1-2H3;1H/q+1;/p-1