(2R)-1-phenoxy-3-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-phenoxy-3-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(3-benzylbenzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol CAS Name: (2R)-1-phenoxy-3-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]-2-propanol IUPAC Name: (2R)-1-(3-benzylbenzimidazol-3-ium-1-yl)-3-phenoxypropan-2-ol Traditional Name: (2R)-1-(3-benzylbenzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol Formula: C23H23N2O2+ MolecularWeight: 359.44092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC(COC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C23H23N2O2/c26-20(17-27-21-11-5-2-6-12-21)16-25-18-24(15-19-9-3-1-4-10-19)22-13-7-8-14-23(22)25/h1-14,18,20,26H,15-17H2/q+1/t20-/m1/s1