[(1S)-1-[5-fluoranyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[5-fluoranyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]ammonium Formula: C14H24FN3+2 MolecularWeight: 253.358863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)F)N2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)F)N2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C14H22FN3/c1-11(16)13-10-12(15)4-5-14(13)18-7-3-6-17(2)8-9-18/h4-5,10-11H,3,6-9,16H2,1-2H3/p+2/t11-/m0/s1