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

Systemtic Name: 1-cyclohexyloxy-3-(3-ethyl-2-propyl-benzimidazol-1-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(cyclohexoxy)-3-(3-ethyl-2-propyl-benzimidazol-1-ium-1-yl)propan-2-ol iodide CAS Name: 1-cyclohexyloxy-3-(3-ethyl-2-propyl-1-benzimidazol-1-iumyl)-2-propanol iodide IUPAC Name: 1-cyclohexyloxy-3-(3-ethyl-2-propylbenzimidazol-1-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(cyclohexoxy)-3-(3-ethyl-2-propyl-benzimidazol-1-ium-1-yl)propan-2-ol iodide Formula: C21H33IN2O2 MolecularWeight: 472.40339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N2O2.HI/c1-3-10-21-22(4-2)19-13-8-9-14-20(19)23(21)15-17(24)16-25-18-11-6-5-7-12-18;/h8-9,13-14,17-18,24H,3-7,10-12,15-16H2,1-2H3;1H/q+1;/p-1