[(1S)-3-(2-methylpropylamino)-3-oxidanylidene-1-phenyl-propyl]azanium

Systemtic Name: [(1S)-3-(2-methylpropylamino)-3-oxidanylidene-1-phenyl-propyl]azanium Openeye Name: [(1S)-3-(isobutylamino)-3-oxo-1-phenyl-propyl]ammonium CAS Name: [(1S)-3-(2-methylpropylamino)-3-oxo-1-phenylpropyl]ammonium IUPAC Name: [(1S)-3-(2-methylpropylamino)-3-oxo-1-phenylpropyl]azanium Traditional Name: [(1S)-3-(isobutylamino)-3-keto-1-phenyl-propyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-10(2)9-15-13(16)8-12(14)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)/p+1/t12-/m0/s1