2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-nitro-phenolate Formula: C13H20N3O4+ MolecularWeight: 282.3156

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H19N3O4/c17-8-7-14-3-5-15(6-4-14)10-11-9-12(16(19)20)1-2-13(11)18/h1-2,9,17-18H,3-8,10H2/p+1