(2R)-2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-4-ium

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-4-ium Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-4-ium CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-4-ium IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-4-ium Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-imidazo[4,5-b]pyridin-4-ium Formula: C13H12N3O2+ MolecularWeight: 242.25328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3NC4=C(N3)[NH+]=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H]3NC4=C(N3)[NH+]=CC=C4

InChI

InChI=1S/C13H11N3O2/c1-2-9-13(14-5-1)16-12(15-9)8-3-4-10-11(6-8)18-7-17-10/h1-6,12,15H,7H2,(H,14,16)/p+1/t12-/m1/s1