1-[4-[[2,6-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[2,6-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2,6-difluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2,6-difluorophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2,6-difluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2,6-difluorobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C13H17F2N2O+ MolecularWeight: 255.283686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2F)F

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2F)F

InChI

InChI=1S/C13H16F2N2O/c1-10(18)17-7-5-16(6-8-17)9-11-12(14)3-2-4-13(11)15/h2-4H,5-9H2,1H3/p+1