3-(7-bromanyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(7-bromanyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-ol Openeye Name: 3-(7-bromo-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-ol CAS Name: 3-(7-bromo-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumol IUPAC Name: 3-(7-bromo-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-ol Traditional Name: 3-(7-bromo-1,3-benzothiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-ol Formula: C13H12BrN3O2S MolecularWeight: 354.22228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC([N+](C1)(C2=NC3=C(S2)C(=CC=C3)Br)[O-])O

Isomeric SMILES

C#CCN1CC([N+](C1)(C2=NC3=C(S2)C(=CC=C3)Br)[O-])O

InChI

InChI=1S/C13H12BrN3O2S/c1-2-6-16-7-11(18)17(19,8-16)13-15-10-5-3-4-9(14)12(10)20-13/h1,3-5,11,18H,6-8H2