3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium chloride

Systemtic Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium chloride Openeye Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium chloride CAS Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium chloride IUPAC Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium chloride Traditional Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium chloride Formula: C10H11ClN2O2S MolecularWeight: 258.72454

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])C.[Cl-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])C.[Cl-]

InChI

InChI=1S/C10H11N2O2S.ClH/c1-3-11-7(2)15-10-6-8(12(13)14)4-5-9(10)11;/h4-6H,3H2,1-2H3;1H/q+1;/p-1