1-[4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[4-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazino]butan-1-one Formula: C19H29FN5O3+ MolecularWeight: 394.463663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28FN5O3/c1-3-4-19(26)24-11-9-23(10-12-24)17-14-16(15(20)13-18(17)25(27)28)22-7-5-21(2)6-8-22/h13-14H,3-12H2,1-2H3/p+1