1-[3-fluoranyl-4-[4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]propan-1-one

Systemtic Name: 1-[3-fluoranyl-4-[4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]propan-1-one Openeye Name: 1-[3-fluoro-4-[4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzoyl]piperazin-1-yl]phenyl]propan-1-one CAS Name: 1-[3-fluoro-4-[4-[[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]phenyl]-1-propanone IUPAC Name: 1-[3-fluoro-4-[4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzoyl]piperazin-1-yl]phenyl]propan-1-one Traditional Name: 1-[3-fluoro-4-[4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzoyl]piperazino]phenyl]propan-1-one Formula: C25H31FN5O4+ MolecularWeight: 484.543143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CC[NH+](CC4)C)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CC[NH+](CC4)C)F

InChI

InChI=1S/C25H30FN5O4/c1-3-24(32)18-4-6-23(21(26)16-18)29-12-14-30(15-13-29)25(33)20-17-19(31(34)35)5-7-22(20)28-10-8-27(2)9-11-28/h4-7,16-17H,3,8-15H2,1-2H3/p+1