[(1S)-1-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-[(3S)-2-ketoazepan-3-yl]oxyphenyl]ethyl]ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2CCCCNC2=O)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)O[C@H]2CCCCNC2=O)[NH3+]

InChI

InChI=1S/C14H20N2O2/c1-10(15)11-5-7-12(8-6-11)18-13-4-2-3-9-16-14(13)17/h5-8,10,13H,2-4,9,15H2,1H3,(H,16,17)/p+1/t10-,13-/m0/s1