1-(2,6-dimethylphenoxy)-3-(3-ethylbenzimidazol-1-ium-1-yl)propan-2-ol

Systemtic Name: 1-(2,6-dimethylphenoxy)-3-(3-ethylbenzimidazol-1-ium-1-yl)propan-2-ol Openeye Name: 1-(2,6-dimethylphenoxy)-3-(3-ethylbenzimidazol-1-ium-1-yl)propan-2-ol CAS Name: 1-(2,6-dimethylphenoxy)-3-(3-ethyl-1-benzimidazol-1-iumyl)-2-propanol IUPAC Name: 1-(2,6-dimethylphenoxy)-3-(3-ethylbenzimidazol-1-ium-1-yl)propan-2-ol Traditional Name: 1-(2,6-dimethylphenoxy)-3-(3-ethylbenzimidazol-1-ium-1-yl)propan-2-ol Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=CC=CC=C21)CC(COC3=C(C=CC=C3C)C)O

Isomeric SMILES

CCN1C=[N+](C2=CC=CC=C21)CC(COC3=C(C=CC=C3C)C)O

InChI

InChI=1S/C20H25N2O2/c1-4-21-14-22(19-11-6-5-10-18(19)21)12-17(23)13-24-20-15(2)8-7-9-16(20)3/h5-11,14,17,23H,4,12-13H2,1-3H3/q+1