1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(2-fluorophenyl)piperazin-1-ium Formula: C19H23FN3O4+ MolecularWeight: 376.402023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O4/c1-26-18-11-14(17(23(24)25)12-19(18)27-2)13-21-7-9-22(10-8-21)16-6-4-3-5-15(16)20/h3-6,11-12H,7-10,13H2,1-2H3/p+1