[(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-di(propan-2-yl)azanium

Systemtic Name: [(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-di(propan-2-yl)azanium Openeye Name: [(3S)-3-cyano-2-oxo-3-phenyl-propyl]-diisopropyl-ammonium CAS Name: [(3S)-3-cyano-2-oxo-3-phenylpropyl]-di(propan-2-yl)ammonium IUPAC Name: [(3S)-3-cyano-2-oxo-3-phenylpropyl]-di(propan-2-yl)azanium Traditional Name: [(3S)-3-cyano-2-keto-3-phenyl-propyl]-diisopropyl-ammonium Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC(=O)C(C#N)C1=CC=CC=C1)C(C)C

Isomeric SMILES

CC(C)[NH+](CC(=O)[C@H](C#N)C1=CC=CC=C1)C(C)C

InChI

InChI=1S/C16H22N2O/c1-12(2)18(13(3)4)11-16(19)15(10-17)14-8-6-5-7-9-14/h5-9,12-13,15H,11H2,1-4H3/p+1/t15-/m1/s1