2-(4-bromanyl-6-fluoranyl-1,3-benzothiazol-2-yl)ethylazanium

Systemtic Name: 2-(4-bromanyl-6-fluoranyl-1,3-benzothiazol-2-yl)ethylazanium Openeye Name: 2-(4-bromo-6-fluoro-1,3-benzothiazol-2-yl)ethylammonium CAS Name: 2-(4-bromo-6-fluoro-1,3-benzothiazol-2-yl)ethylammonium IUPAC Name: 2-(4-bromo-6-fluoro-1,3-benzothiazol-2-yl)ethylazanium Traditional Name: 2-(4-bromo-6-fluoro-1,3-benzothiazol-2-yl)ethylammonium Formula: C9H9BrFN2S+ MolecularWeight: 276.148563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1SC(=N2)CC[NH3+])Br)F

Isomeric SMILES

C1=C(C=C(C2=C1SC(=N2)CC[NH3+])Br)F

InChI

InChI=1S/C9H8BrFN2S/c10-6-3-5(11)4-7-9(6)13-8(14-7)1-2-12/h3-4H,1-2,12H2/p+1