[(1S)-1-[4-(azepan-1-yl)-3-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(azepan-1-yl)-3-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(azepan-1-yl)-3-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-(1-azepanyl)-3-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(azepan-1-yl)-3-fluoro-phenyl]ethyl]ammonium Formula: C14H22FN2+ MolecularWeight: 237.336283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CCCCCC2)F)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)N2CCCCCC2)F)[NH3+]

InChI

InChI=1S/C14H21FN2/c1-11(16)12-6-7-14(13(15)10-12)17-8-4-2-3-5-9-17/h6-7,10-11H,2-5,8-9,16H2,1H3/p+1/t11-/m0/s1