1-[2-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]azepane

Systemtic Name: 1-[2-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]azepane Openeye Name: 1-[2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]azepane CAS Name: 1-[2-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]azepane IUPAC Name: 1-[2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]azepane Traditional Name: 1-[2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]azepane Formula: C17H26FN4O2+ MolecularWeight: 337.412343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCCC3

InChI

InChI=1S/C17H25FN4O2/c1-19-8-10-21(11-9-19)16-13-15(14(18)12-17(16)22(23)24)20-6-4-2-3-5-7-20/h12-13H,2-11H2,1H3/p+1