N,N-dimethyl-5-nitro-3-oxidanidyl-2H-1,3-benzothiazol-3-ium-3-amine

Systemtic Name: N,N-dimethyl-5-nitro-3-oxidanidyl-2H-1,3-benzothiazol-3-ium-3-amine Openeye Name: N,N-dimethyl-5-nitro-3-oxido-2H-1,3-benzothiazol-3-ium-3-amine CAS Name: N,N-dimethyl-5-nitro-3-oxido-2H-1,3-benzothiazol-3-ium-3-amine IUPAC Name: N,N-dimethyl-5-nitro-3-oxido-2H-1,3-benzothiazol-3-ium-3-amine Traditional Name: dimethyl-(5-nitro-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)amine Formula: C9H11N3O3S MolecularWeight: 241.26694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)[N+]1(CSC2=C1C=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(C)[N+]1(CSC2=C1C=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C9H11N3O3S/c1-10(2)12(15)6-16-9-4-3-7(11(13)14)5-8(9)12/h3-5H,6H2,1-2H3