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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(3,4-difluorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(3,4-difluorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(3,4-difluorobenzyl)-4-methyl-1,4-diazepan-1-ium Formula: C13H19F2N2+ MolecularWeight: 241.300166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)F)F

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H18F2N2/c1-16-5-2-6-17(8-7-16)10-11-3-4-12(14)13(15)9-11/h3-4,9H,2,5-8,10H2,1H3/p+1