[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)-2-(2-ketoazepan-1-yl)ethyl]ammonium Formula: C15H22FN2O2+ MolecularWeight: 281.345783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCCCCC2=O)[NH3+])F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CN2CCCCCC2=O)[NH3+])F

InChI

InChI=1S/C15H21FN2O2/c1-20-14-7-6-11(9-12(14)16)13(17)10-18-8-4-2-3-5-15(18)19/h6-7,9,13H,2-5,8,10,17H2,1H3/p+1/t13-/m1/s1