[(1S)-2-(2-oxidanylideneazepan-1-yl)-1-phenyl-ethyl]azanium

Systemtic Name: [(1S)-2-(2-oxidanylideneazepan-1-yl)-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-(2-oxoazepan-1-yl)-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-(2-oxo-1-azepanyl)-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]azanium Traditional Name: [(1S)-2-(2-ketoazepan-1-yl)-1-phenyl-ethyl]ammonium Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C1CCC(=O)N(CC1)C[C@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C14H20N2O/c15-13(12-7-3-1-4-8-12)11-16-10-6-2-5-9-14(16)17/h1,3-4,7-8,13H,2,5-6,9-11,15H2/p+1/t13-/m1/s1