4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-nitrophenolate IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-nitrophenolate Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])CCO

InChI

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