[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-chloranyl-4-fluoranyl-phenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-chloranyl-4-fluoranyl-phenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-chloro-4-fluoro-phenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3-chloro-4-fluorophenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3-chloro-4-fluorophenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3-chloro-4-fluoro-phenyl)ammonium Formula: C15H21ClFN2O+ MolecularWeight: 299.791443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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