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

Systemtic Name: 1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[5-(4-ethyl-1-piperazin-4-iumyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-2-phenyl-ethanone Formula: C24H31FN5O3+ MolecularWeight: 456.533043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C24H30FN5O3/c1-2-26-8-10-27(11-9-26)21-18-22(23(30(32)33)17-20(21)25)28-12-14-29(15-13-28)24(31)16-19-6-4-3-5-7-19/h3-7,17-18H,2,8-16H2,1H3/p+1