1-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-3-(4-fluoranylphenoxy)propan-2-ol

Systemtic Name: 1-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-3-(4-fluoranylphenoxy)propan-2-ol Openeye Name: 1-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-3-(4-fluorophenoxy)propan-2-ol CAS Name: 1-(3-ethyl-5,6-dimethyl-1-benzimidazol-1-iumyl)-3-(4-fluorophenoxy)-2-propanol IUPAC Name: 1-(3-ethyl-5,6-dimethylbenzimidazol-1-ium-1-yl)-3-(4-fluorophenoxy)propan-2-ol Traditional Name: 1-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-3-(4-fluorophenoxy)propan-2-ol Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=C1C=C(C(=C2)C)C)CC(COC3=CC=C(C=C3)F)O

Isomeric SMILES

CCN1C=[N+](C2=C1C=C(C(=C2)C)C)CC(COC3=CC=C(C=C3)F)O

InChI

InChI=1S/C20H24FN2O2/c1-4-22-13-23(20-10-15(3)14(2)9-19(20)22)11-17(24)12-25-18-7-5-16(21)6-8-18/h5-10,13,17,24H,4,11-12H2,1-3H3/q+1