2-ethyl-6-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide

Systemtic Name: 2-ethyl-6-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide Openeye Name: 2-ethyl-6-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide CAS Name: 2-ethyl-6-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide IUPAC Name: 2-ethyl-6-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide Traditional Name: 2-ethyl-6-methoxy-2H-1,3-benzothiazol-3-ium 3-oxide Formula: C10H12NO2S+ MolecularWeight: 210.27278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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