1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(4-bromo-2-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(4-bromo-2-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=C(C=C(C=C2)Br)F)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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