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

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-fluoranyl-4-methyl-phenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-fluoro-4-methyl-phenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3-fluoro-4-methylphenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3-fluoro-4-methylphenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3-fluoro-4-methyl-phenyl)ammonium Formula: C16H24FN2O+ MolecularWeight: 279.372963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN2O/c1-12-7-8-14(11-15(12)17)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