1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-ethyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-ethyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(3,4-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(3,4-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-(3,4-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=CC(=C(C=C2)F)F

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC(=C(C=C2)F)F

InChI

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