1-[[2,6-bis(fluoranyl)phenyl]methyl]-4-ethyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-4-ethyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2,6-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2,6-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2,6-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-(2,6-difluorobenzyl)-4-ethyl-1,4-diazepan-1-ium-5-one Formula: C14H19F2N2O+ MolecularWeight: 269.310266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=C(C=CC=C2F)F

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=C(C=CC=C2F)F

InChI

InChI=1S/C14H18F2N2O/c1-2-18-9-8-17(7-6-14(18)19)10-11-12(15)4-3-5-13(11)16/h3-5H,2,6-10H2,1H3/p+1