1-(2,4-dinitrophenyl)-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,4-dinitrophenyl)-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,4-dinitrophenyl)-4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(2,4-dinitrophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,4-dinitrophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,4-dinitrophenyl)-4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium Formula: C18H20FN4O5+ MolecularWeight: 391.373603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O5/c1-28-18-5-2-14(19)10-13(18)12-20-6-8-21(9-7-20)16-4-3-15(22(24)25)11-17(16)23(26)27/h2-5,10-11H,6-9,12H2,1H3/p+1