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

Systemtic Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate Openeye Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-nitrophenolate IUPAC Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-nitrophenolate Traditional Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C17H18FN3O3/c18-14-3-1-2-4-15(14)20-9-7-19(8-10-20)12-13-5-6-17(22)16(11-13)21(23)24/h1-6,11,22H,7-10,12H2