(5-bromanyl-2-fluoranyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-2-fluoro-phenyl)methanone CAS Name: (5-bromo-2-fluorophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-2-fluorophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-2-fluoro-phenyl)methanone Formula: C18H19BrFN2O+ MolecularWeight: 378.258663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C18H18BrFN2O/c19-15-6-7-17(20)16(12-15)18(23)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1