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

Systemtic Name: 1-[4-[[2,5-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2,5-difluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2,5-difluorophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2,5-difluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2,5-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(=C2)F)F

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)F)F

InChI

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