ethyl 4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27FN5O4+ MolecularWeight: 396.436483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H26FN5O4/c1-3-28-18(25)23-10-8-22(9-11-23)16-13-15(14(19)12-17(16)24(26)27)21-6-4-20(2)5-7-21/h12-13H,3-11H2,1-2H3/p+1