N,N-diethyl-2-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-aniline

Systemtic Name: N,N-diethyl-2-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-aniline Openeye Name: N,N-diethyl-2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-aniline CAS Name: N,N-diethyl-2-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-4-nitroaniline IUPAC Name: N,N-diethyl-2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-4-nitroaniline Traditional Name: diethyl-[2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]amine Formula: C15H24FN4O2+ MolecularWeight: 311.375063

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1)N2CC[NH+](CC2)C)[N+](=O)[O-])F

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1)N2CC[NH+](CC2)C)[N+](=O)[O-])F

InChI

InChI=1S/C15H23FN4O2/c1-4-18(5-2)13-11-14(15(20(21)22)10-12(13)16)19-8-6-17(3)7-9-19/h10-11H,4-9H2,1-3H3/p+1