2-ethyl-5-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide

Systemtic Name: 2-ethyl-5-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide Openeye Name: 2-ethyl-5-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide CAS Name: 2-ethyl-5-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide IUPAC Name: 2-ethyl-5-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide Traditional Name: 2-ethyl-5-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide Formula: C10H12NO2S+ MolecularWeight: 210.27278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1[N+](=O)C2=C(S1)C=CC(=C2)OC

Isomeric SMILES

CCC1[N+](=O)C2=C(S1)C=CC(=C2)OC

InChI

InChI=1S/C10H12NO2S/c1-3-10-11(12)8-6-7(13-2)4-5-9(8)14-10/h4-6,10H,3H2,1-2H3/q+1