2-methoxy-6-nitro-4-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenolate Traditional Name: 2-methoxy-6-nitro-4-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]phenolate Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H20N4O4/c1-25-15-11-13(10-14(17(15)22)21(23)24)12-19-6-8-20(9-7-19)16-4-2-3-5-18-16/h2-5,10-11,22H,6-9,12H2,1H3