[(3S)-2-oxidanylideneazepan-3-yl]-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [(2R)-2-hydroxy-2-phenylethyl]-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [(2R)-2-hydroxy-2-phenylethyl]-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]CC(C2=CC=CC=C2)O

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]C[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C14H20N2O2/c17-13(11-6-2-1-3-7-11)10-16-12-8-4-5-9-15-14(12)18/h1-3,6-7,12-13,16-17H,4-5,8-10H2,(H,15,18)/p+1/t12-,13-/m0/s1