1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(1-cyclohex-3-enylmethoxy)-3-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C21H31IN2O2 MolecularWeight: 470.38751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC(COCC3CCC=CC3)O)C.[I-]

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC(COCC3CCC=CC3)O)C.[I-]

InChI

InChI=1S/C21H31N2O2.HI/c1-3-9-21-22(2)19-12-7-8-13-20(19)23(21)14-18(24)16-25-15-17-10-5-4-6-11-17;/h4-5,7-8,12-13,17-18,24H,3,6,9-11,14-16H2,1-2H3;1H/q+1;/p-1