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

Systemtic Name: 1-[5-(4-ethylpiperazin-4-ium-1-yl)-2-fluoranyl-4-nitro-phenyl]azepane Openeye Name: 1-[5-(4-ethylpiperazin-4-ium-1-yl)-2-fluoro-4-nitro-phenyl]azepane CAS Name: 1-[5-(4-ethyl-1-piperazin-4-iumyl)-2-fluoro-4-nitrophenyl]azepane IUPAC Name: 1-[5-(4-ethylpiperazin-4-ium-1-yl)-2-fluoro-4-nitrophenyl]azepane Traditional Name: 1-[5-(4-ethylpiperazin-4-ium-1-yl)-2-fluoro-4-nitro-phenyl]azepane Formula: C18H28FN4O2+ MolecularWeight: 351.438923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN4O2/c1-2-20-9-11-22(12-10-20)17-14-16(15(19)13-18(17)23(24)25)21-7-5-3-4-6-8-21/h13-14H,2-12H2,1H3/p+1