[(3S)-2-oxidanylideneazepan-3-yl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[(1S)-1-phenylethyl]azanium Openeye Name: [(3S)-2-oxoazepan-3-yl]-[(1S)-1-phenylethyl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[(1S)-1-phenylethyl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[(1S)-1-phenylethyl]ammonium Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]C2CCCCNC2=O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+][C@H]2CCCCNC2=O

InChI

InChI=1S/C14H20N2O/c1-11(12-7-3-2-4-8-12)16-13-9-5-6-10-15-14(13)17/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H,15,17)/p+1/t11-,13-/m0/s1