[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-chloranyl-2-fluoranyl-phenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-chloranyl-2-fluoranyl-phenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-chloro-2-fluoro-phenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3-chloro-2-fluorophenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3-chloro-2-fluorophenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3-chloro-2-fluoro-phenyl)ammonium Formula: C15H21ClFN2O+ MolecularWeight: 299.791443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]C2=C(C(=CC=C2)Cl)F

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]C2=C(C(=CC=C2)Cl)F

InChI

InChI=1S/C15H20ClFN2O/c1-11(15(20)19-9-4-2-3-5-10-19)18-13-8-6-7-12(16)14(13)17/h6-8,11,18H,2-5,9-10H2,1H3/p+1/t11-/m0/s1