2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol; methyl sulfate

Systemtic Name: 2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol; methyl sulfate Openeye Name: 2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol; methyl sulfate CAS Name: 2-[(1,3-dimethyl-2-benzimidazol-3-iumyl)methoxy]phenol; methyl sulfate IUPAC Name: 2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol; methyl sulfate Traditional Name: 2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol; methyl sulfate Formula: C17H20N2O6S MolecularWeight: 380.4155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3O)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3O)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H16N2O2.CH4O4S/c1-17-12-7-3-4-8-13(12)18(2)16(17)11-20-15-10-6-5-9-14(15)19;1-5-6(2,3)4/h3-10H,11H2,1-2H3;1H3,(H,2,3,4)