1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C17H18BrFN3O2+ MolecularWeight: 395.246123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrFN3O2/c18-16-11-13(1-6-17(16)19)12-20-7-9-21(10-8-20)14-2-4-15(5-3-14)22(23)24/h1-6,11H,7-10,12H2/p+1