1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2,5-difluorophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2,5-difluorophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2,5-difluorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(2,5-difluorobenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C16H19F2N3+2 MolecularWeight: 291.338966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)F)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)F)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17F2N3/c17-14-4-5-15(18)13(11-14)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2/p+2