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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]azepan-1-ium Openeye Name: 1-[(3,4-difluorophenyl)methyl]azepan-1-ium CAS Name: 1-[(3,4-difluorophenyl)methyl]azepan-1-ium IUPAC Name: 1-[(3,4-difluorophenyl)methyl]azepan-1-ium Traditional Name: 1-(3,4-difluorobenzyl)azepan-1-ium Formula: C13H18F2N+ MolecularWeight: 226.285526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H17F2N/c14-12-6-5-11(9-13(12)15)10-16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2/p+1