2-nitro-4-piperazin-4-ium-1-ylsulfonyl-phenolate

Systemtic Name: 2-nitro-4-piperazin-4-ium-1-ylsulfonyl-phenolate Openeye Name: 2-nitro-4-piperazin-4-ium-1-ylsulfonyl-phenolate CAS Name: 2-nitro-4-(1-piperazin-4-iumylsulfonyl)phenolate IUPAC Name: 2-nitro-4-piperazin-4-ium-1-ylsulfonylphenolate Traditional Name: 2-nitro-4-piperazin-4-ium-1-ylsulfonyl-phenolate Formula: C10H13N3O5S MolecularWeight: 287.29232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O5S/c14-10-2-1-8(7-9(10)13(15)16)19(17,18)12-5-3-11-4-6-12/h1-2,7,11,14H,3-6H2