1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C16H18BrFN3+ MolecularWeight: 351.236623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)F)Br)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)Br)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17BrFN3/c17-14-11-13(4-5-15(14)18)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2/p+1