2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate Formula: C14H21N3O5 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)CCO)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)CCO)[O-]

InChI

InChI=1S/C14H21N3O5/c1-22-13-9-12(17(20)21)8-11(14(13)19)10-16-4-2-15(3-5-16)6-7-18/h8-9,18-19H,2-7,10H2,1H3