2-[3,4-bis(fluoranyl)phenyl]-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(3,4-difluorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(3,4-difluorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(3,4-difluorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(3,4-difluorophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C19H20F2N5+ MolecularWeight: 356.392406

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1C2=CC(=C(C=C2)F)F)C3=CC=NN3)C4=CC=NC=C4

Isomeric SMILES

C[N+]1(CCN(CC1C2=CC(=C(C=C2)F)F)C3=CC=NN3)C4=CC=NC=C4

InChI

InChI=1S/C19H20F2N5/c1-26(15-4-7-22-8-5-15)11-10-25(19-6-9-23-24-19)13-18(26)14-2-3-16(20)17(21)12-14/h2-9,12,18H,10-11,13H2,1H3,(H,23,24)/q+1