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

Systemtic Name: 1-[4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[4-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazino]propan-1-one Formula: C18H27FN5O3+ MolecularWeight: 380.437083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26FN5O3/c1-3-18(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