1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(5-fluoro-2-methoxy-phenyl)methyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(5-nitro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Traditional Name: 1-(5-fluoro-2-methoxy-benzyl)-4-(5-nitro-2-pyridyl)piperazin-1-ium Formula: C17H20FN4O3+ MolecularWeight: 347.364103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O3/c1-25-16-4-2-14(18)10-13(16)12-20-6-8-21(9-7-20)17-5-3-15(11-19-17)22(23)24/h2-5,10-11H,6-9,12H2,1H3/p+1