methanesulfonate; 1-methoxy-3-methyl-benzimidazol-3-ium

Systemtic Name: methanesulfonate; 1-methoxy-3-methyl-benzimidazol-3-ium Openeye Name: methanesulfonate; 1-methoxy-3-methyl-benzimidazol-3-ium CAS Name: methanesulfonate; 1-methoxy-3-methylbenzimidazol-3-ium IUPAC Name: methanesulfonate; 1-methoxy-3-methylbenzimidazol-3-ium Traditional Name: 1-methoxy-3-methyl-benzimidazol-3-ium mesylate Formula: C10H14N2O4S MolecularWeight: 258.29416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)OC.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C9H11N2O.CH4O3S/c1-10-7-11(12-2)9-6-4-3-5-8(9)10;1-5(2,3)4/h3-7H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1