[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(5-fluoranyl-2-methyl-phenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(5-fluoranyl-2-methyl-phenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(5-fluoro-2-methyl-phenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(5-fluoro-2-methylphenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(5-fluoro-2-methylphenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(5-fluoro-2-methyl-phenyl)ammonium Formula: C16H24FN2O+ MolecularWeight: 279.372963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)[NH2+]C(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)F)[NH2+][C@@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C16H23FN2O/c1-12-7-8-14(17)11-15(12)18-13(2)16(20)19-9-5-3-4-6-10-19/h7-8,11,13,18H,3-6,9-10H2,1-2H3/p+1/t13-/m0/s1