2,6-dimethyl-3-oxidanidyl-1,3-benzothiazol-3-ium

Systemtic Name: 2,6-dimethyl-3-oxidanidyl-1,3-benzothiazol-3-ium Openeye Name: 2,6-dimethyl-3-oxido-1,3-benzothiazol-3-ium CAS Name: 2,6-dimethyl-3-oxido-1,3-benzothiazol-3-ium IUPAC Name: 2,6-dimethyl-3-oxido-1,3-benzothiazol-3-ium Traditional Name: 2,6-dimethyl-3-oxido-1,3-benzothiazol-3-ium Formula: C9H9NOS MolecularWeight: 179.23886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(S2)C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(S2)C)[O-]

InChI

InChI=1S/C9H9NOS/c1-6-3-4-8-9(5-6)12-7(2)10(8)11/h3-5H,1-2H3