(2R)-1-(2,4-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(2,4-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(2,4-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(2,4-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-2-propanol IUPAC Name: (2R)-1-(2,4-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(2,4-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[N+]2=C(NC3=CC=CC=C32)NCCO)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@@H](C[N+]2=C(NC3=CC=CC=C32)NCCO)O)C

InChI

InChI=1S/C20H25N3O3/c1-14-7-8-19(15(2)11-14)26-13-16(25)12-23-18-6-4-3-5-17(18)22-20(23)21-9-10-24/h3-8,11,16,24-25H,9-10,12-13H2,1-2H3,(H,21,22)/p+1/t16-/m1/s1