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

Systemtic Name: 2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol; methanesulfonate Openeye Name: 2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol; methanesulfonate CAS Name: 2-[(1,3-dimethyl-2-benzimidazol-3-iumyl)methoxy]phenol; methanesulfonate IUPAC Name: 2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol; methanesulfonate Traditional Name: 2-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methoxy]phenol mesylate Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2.CH4O3S/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(2,3)4/h3-10H,11H2,1-2H3;1H3,(H,2,3,4)