1-methyl-3-(phenylsulfonylmethyl)benzotriazol-1-ium iodide

Systemtic Name: 1-methyl-3-(phenylsulfonylmethyl)benzotriazol-1-ium iodide Openeye Name: 1-(benzenesulfonylmethyl)-3-methyl-benzotriazol-3-ium iodide CAS Name: 1-(benzenesulfonylmethyl)-3-methylbenzotriazol-3-ium iodide IUPAC Name: 1-(benzenesulfonylmethyl)-3-methylbenzotriazol-3-ium iodide Traditional Name: 1-(besylmethyl)-3-methyl-benzotriazol-3-ium iodide Formula: C14H14IN3O2S MolecularWeight: 415.24933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NN(C2=CC=CC=C21)CS(=O)(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=NN(C2=CC=CC=C21)CS(=O)(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C14H14N3O2S.HI/c1-16-13-9-5-6-10-14(13)17(15-16)11-20(18,19)12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H/q+1;/p-1