N-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanoylimino]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanoylimino]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]acetyl]imino-4-fluoro-benzamide CAS Name: N-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]imino-4-fluorobenzamide IUPAC Name: N-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]imino-4-fluorobenzamide Traditional Name: N-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]acetyl]imino-4-fluoro-benzamide Formula: C21H21F2N4O3+ MolecularWeight: 415.413246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N=NC(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N=NC(=O)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C21H20F2N4O3/c1-14(28)16-4-7-19(18(23)12-16)27-10-8-26(9-11-27)13-20(29)24-25-21(30)15-2-5-17(22)6-3-15/h2-7,12H,8-11,13H2,1H3/p+1