(2S)-1-(2-fluoranylphenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2-fluoranylphenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-fluorophenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-fluorophenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-2-propanol IUPAC Name: (2S)-1-(2-fluorophenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-fluorophenoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Formula: C18H21FN3O3+ MolecularWeight: 346.376043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(COC3=CC=CC=C3F)O)NCCO

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2C[C@@H](COC3=CC=CC=C3F)O)NCCO

InChI

InChI=1S/C18H20FN3O3/c19-14-5-1-4-8-17(14)25-12-13(24)11-22-16-7-3-2-6-15(16)21-18(22)20-9-10-23/h1-8,13,23-24H,9-12H2,(H,20,21)/p+1/t13-/m0/s1