1-(2,3-diethylbenzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol iodide

Systemtic Name: 1-(2,3-diethylbenzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol iodide Openeye Name: 1-(2,3-diethylbenzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol iodide CAS Name: 1-(2,3-diethyl-1-benzimidazol-1-iumyl)-3-(2-methoxyphenoxy)-2-propanol iodide IUPAC Name: 1-(2,3-diethylbenzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol iodide Traditional Name: 1-(2,3-diethylbenzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol iodide Formula: C21H27IN2O3 MolecularWeight: 482.35515

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2N1CC)CC(COC3=CC=CC=C3OC)O.[I-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1CC)CC(COC3=CC=CC=C3OC)O.[I-]

InChI

InChI=1S/C21H27N2O3.HI/c1-4-21-22(5-2)17-10-6-7-11-18(17)23(21)14-16(24)15-26-20-13-9-8-12-19(20)25-3;/h6-13,16,24H,4-5,14-15H2,1-3H3;1H/q+1;/p-1