1-(4-bromanyl-2-nitro-phenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2-nitro-phenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-bromo-2-nitro-phenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-bromo-2-nitrophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-bromo-2-nitrophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-bromo-2-nitro-phenyl)-4-(2-fluorobenzyl)piperazin-4-ium Formula: C17H18BrFN3O2+ MolecularWeight: 395.246123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)Br)[N+](=O)[O-]

InChI

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