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

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylpiperazin-4-ium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-ethyl-piperazin-4-ium Formula: C13H19BrFN2+ MolecularWeight: 302.205763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C13H18BrFN2/c1-2-16-5-7-17(8-6-16)10-11-3-4-13(15)12(14)9-11/h3-4,9H,2,5-8,10H2,1H3/p+1