1-(4-chloranylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(4-chloranylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(4-chlorophenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(4-chlorophenoxy)-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(4-chlorophenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(4-chlorophenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C19H22ClIN2O2 MolecularWeight: 472.74765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=C(C=C3)Cl)O)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=C(C=C3)Cl)O)C.[I-]

InChI

InChI=1S/C19H22ClN2O2.HI/c1-13-8-18-19(9-14(13)2)22(12-21(18)3)10-16(23)11-24-17-6-4-15(20)5-7-17;/h4-9,12,16,23H,10-11H2,1-3H3;1H/q+1;/p-1