2-[(3-bromophenyl)methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium

Systemtic Name: 2-[(3-bromophenyl)methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium Openeye Name: 2-[(3-bromophenyl)methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium CAS Name: 2-[(3-bromophenyl)methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium IUPAC Name: 2-[(3-bromophenyl)methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium Traditional Name: 2-(3-bromobenzyl)sulfonyl-1H-imidazo[4,5-b]pyridin-4-ium Formula: C13H11BrN3O2S+ MolecularWeight: 353.21434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CS(=O)(=O)C2=NC3=C(N2)C=CC=[NH+]3

Isomeric SMILES

C1=CC(=CC(=C1)Br)CS(=O)(=O)C2=NC3=C(N2)C=CC=[NH+]3

InChI

InChI=1S/C13H10BrN3O2S/c14-10-4-1-3-9(7-10)8-20(18,19)13-16-11-5-2-6-15-12(11)17-13/h1-7H,8H2,(H,15,16,17)/p+1