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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(3,4-difluorophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(3,4-difluorophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3,4-difluorobenzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C16H18F2N3+ MolecularWeight: 290.331026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F2N3/c17-14-5-4-13(11-15(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