1-(3-methylbenzimidazol-3-ium-1-yl)-3-phenylmethoxy-propan-2-ol

Systemtic Name: 1-(3-methylbenzimidazol-3-ium-1-yl)-3-phenylmethoxy-propan-2-ol Openeye Name: 1-benzyloxy-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol CAS Name: 1-(3-methyl-1-benzimidazol-3-iumyl)-3-phenylmethoxy-2-propanol IUPAC Name: 1-(3-methylbenzimidazol-3-ium-1-yl)-3-phenylmethoxypropan-2-ol Traditional Name: 1-benzoxy-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Formula: C18H21N2O2+ MolecularWeight: 297.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC(COCC3=CC=CC=C3)O

InChI

InChI=1S/C18H21N2O2/c1-19-14-20(18-10-6-5-9-17(18)19)11-16(21)13-22-12-15-7-3-2-4-8-15/h2-10,14,16,21H,11-13H2,1H3/q+1