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

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate Formula: C18H20FN3O4 MolecularWeight: 361.367503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3F)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3F)[O-]

InChI

InChI=1S/C18H20FN3O4/c1-26-17-11-14(22(24)25)10-13(18(17)23)12-20-6-8-21(9-7-20)16-5-3-2-4-15(16)19/h2-5,10-11,23H,6-9,12H2,1H3