1H-benzimidazol-2-yl-bis(fluoranyl)methanesulfonate; (phenylmethyl)azanium

Systemtic Name: 1H-benzimidazol-2-yl-bis(fluoranyl)methanesulfonate; (phenylmethyl)azanium Openeye Name: 1H-benzimidazol-2-yl(difluoro)methanesulfonate; benzylammonium CAS Name: 1H-benzimidazol-2-yl(difluoro)methanesulfonate; (phenylmethyl)ammonium IUPAC Name: 1H-benzimidazol-2-yl(difluoro)methanesulfonate; benzylazanium Traditional Name: 1H-benzimidazol-2-yl(difluoro)methanesulfonate; benzylammonium Formula: C15H15F2N3O3S MolecularWeight: 355.359706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH3+].C1=CC=C2C(=C1)NC(=N2)C(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH3+].C1=CC=C2C(=C1)NC(=N2)C(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H6F2N2O3S.C7H9N/c9-8(10,16(13,14)15)7-11-5-3-1-2-4-6(5)12-7;8-6-7-4-2-1-3-5-7/h1-4H,(H,11,12)(H,13,14,15);1-5H,6,8H2