6-nitro-2-piperazin-4-ium-1-yl-1,3-benzothiazole

Systemtic Name: 6-nitro-2-piperazin-4-ium-1-yl-1,3-benzothiazole Openeye Name: 6-nitro-2-piperazin-4-ium-1-yl-1,3-benzothiazole CAS Name: 6-nitro-2-(1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 6-nitro-2-piperazin-4-ium-1-yl-1,3-benzothiazole Traditional Name: 6-nitro-2-piperazin-4-ium-1-yl-1,3-benzothiazole Formula: C11H13N4O2S+ MolecularWeight: 265.31152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c16-15(17)8-1-2-9-10(7-8)18-11(13-9)14-5-3-12-4-6-14/h1-2,7,12H,3-6H2/p+1