5-(4-ethylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzothiadiazole

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzothiadiazole Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzothiadiazole CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-4-nitro-2,1,3-benzothiadiazole IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzothiadiazole Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-4-nitro-piazthiole Formula: C12H16N5O2S+ MolecularWeight: 294.35274

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O2S/c1-2-15-5-7-16(8-6-15)10-4-3-9-11(14-20-13-9)12(10)17(18)19/h3-4H,2,5-8H2,1H3/p+1