[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-[(4-fluorophenyl)methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]CC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H23FN2O/c1-13(16(20)19-10-4-2-3-5-11-19)18-12-14-6-8-15(17)9-7-14/h6-9,13,18H,2-5,10-12H2,1H3/p+1/t13-/m0/s1