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

Systemtic Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium Formula: C10H11N2O2S+ MolecularWeight: 223.27154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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