N-[2-(3-butyl-1H-imidazol-3-ium-2-yl)phenyl]methanesulfonamide; dihydrogen phosphate

Systemtic Name: N-[2-(3-butyl-1H-imidazol-3-ium-2-yl)phenyl]methanesulfonamide; dihydrogen phosphate Openeye Name: N-[2-(3-butyl-1H-imidazol-3-ium-2-yl)phenyl]methanesulfonamide; dihydrogen phosphate CAS Name: N-[2-(3-butyl-1H-imidazol-3-ium-2-yl)phenyl]methanesulfonamide; dihydrogen phosphate IUPAC Name: N-[2-(3-butyl-1H-imidazol-3-ium-2-yl)phenyl]methanesulfonamide; dihydrogen phosphate Traditional Name: N-[2-(3-butyl-1H-imidazol-3-ium-2-yl)phenyl]methanesulfonamide; dihydrogen phosphate Formula: C14H22N3O6PS MolecularWeight: 391.379741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(NC=C1)C2=CC=CC=C2NS(=O)(=O)C.OP(=O)(O)[O-]

Isomeric SMILES

CCCC[N+]1=C(NC=C1)C2=CC=CC=C2NS(=O)(=O)C.OP(=O)(O)[O-]

InChI

InChI=1S/C14H19N3O2S.H3O4P/c1-3-4-10-17-11-9-15-14(17)12-7-5-6-8-13(12)16-20(2,18)19;1-5(2,3)4/h5-9,11H,3-4,10H2,1-2H3,(H,15,16);(H3,1,2,3,4)