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

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-phenyl-piperazin-1-ium Formula: C17H19BrFN2+ MolecularWeight: 350.248563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrFN2/c18-16-12-14(6-7-17(16)19)13-20-8-10-21(11-9-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2/p+1