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1-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]azepane
1-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]azepane
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Descriptors Computed from Structure
Canonical SMILES:
CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCCC3)[N+](=O)[O-])F
Isomeric SMILES
CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCCC3)[N+](=O)[O-])F
InChI
InChI=1S/C18H27FN4O2/c1-2-20-9-11-22(12-10-20)16-14-17(18(23(24)25)13-15(16)19)21-7-5-3-4-6-8-21/h13-14H,2-12H2,1H3/p+1
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