N-(2-bromophenyl)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2-bromophenyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-carboxamide Formula: C18H19BrClFN3O+ MolecularWeight: 427.718363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrClFN3O/c19-15-3-1-2-4-17(15)22-18(25)24-9-7-23(8-10-24)12-13-5-6-14(21)11-16(13)20/h1-6,11H,7-10,12H2,(H,22,25)/p+1