4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)amino]benzenesulfonate

Systemtic Name: 4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)amino]benzenesulfonate Openeye Name: 4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)amino]benzenesulfonate CAS Name: 4-[(1,2,5-trimethyl-3-pyrazol-2-iumyl)amino]benzenesulfonate IUPAC Name: 4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)amino]benzenesulfonate Traditional Name: 4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)amino]besylate Formula: C12H15N3O3S MolecularWeight: 281.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1C)C)NC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[N+](N1C)C)NC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c1-9-8-12(15(3)14(9)2)13-10-4-6-11(7-5-10)19(16,17)18/h4-8H,1-3H3,(H,16,17,18)