1-ethyl-4-[2-fluoranyl-5-(4-methylpiperidin-1-yl)-4-nitro-phenyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[2-fluoranyl-5-(4-methylpiperidin-1-yl)-4-nitro-phenyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[2-fluoro-5-(4-methyl-1-piperidyl)-4-nitro-phenyl]piperazin-1-ium CAS Name: 1-ethyl-4-[2-fluoro-5-(4-methyl-1-piperidinyl)-4-nitrophenyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[2-fluoro-5-(4-methylpiperidino)-4-nitro-phenyl]piperazin-1-ium Formula: C18H28FN4O2+ MolecularWeight: 351.438923

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCC(CC3)C)[N+](=O)[O-])F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCC(CC3)C)[N+](=O)[O-])F

InChI

InChI=1S/C18H27FN4O2/c1-3-20-8-10-22(11-9-20)16-13-17(18(23(24)25)12-15(16)19)21-6-4-14(2)5-7-21/h12-14H,3-11H2,1-2H3/p+1