1-(2-fluoranyl-4-nitro-5-piperazin-4-ium-1-yl-phenyl)azepane

Systemtic Name: 1-(2-fluoranyl-4-nitro-5-piperazin-4-ium-1-yl-phenyl)azepane Openeye Name: 1-(2-fluoro-4-nitro-5-piperazin-4-ium-1-yl-phenyl)azepane CAS Name: 1-[2-fluoro-4-nitro-5-(1-piperazin-4-iumyl)phenyl]azepane IUPAC Name: 1-(2-fluoro-4-nitro-5-piperazin-4-ium-1-ylphenyl)azepane Traditional Name: 1-(2-fluoro-4-nitro-5-piperazin-4-ium-1-yl-phenyl)azepane Formula: C16H24FN4O2+ MolecularWeight: 323.385763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CC[NH2+]CC3)[N+](=O)[O-])F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CC[NH2+]CC3)[N+](=O)[O-])F

InChI

InChI=1S/C16H23FN4O2/c17-13-11-16(21(22)23)15(20-9-5-18-6-10-20)12-14(13)19-7-3-1-2-4-8-19/h11-12,18H,1-10H2/p+1