N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C25H26BrFN3O+ MolecularWeight: 483.395843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)F)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)F)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25BrFN3O/c26-21-11-12-23(22(27)17-21)28-24(31)18-29-13-15-30(16-14-29)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,25H,13-16,18H2,(H,28,31)/p+1