[(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-3-cyano-2-oxo-3-phenyl-propyl]-methyl-ammonium CAS Name: [(3S)-3-cyano-2-oxo-3-phenylpropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-3-cyano-2-oxo-3-phenylpropyl]-methylazanium Traditional Name: benzyl-[(3S)-3-cyano-2-keto-3-phenyl-propyl]-methyl-ammonium Formula: C18H19N2O+ MolecularWeight: 279.35626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O/c1-20(13-15-8-4-2-5-9-15)14-18(21)17(12-19)16-10-6-3-7-11-16/h2-11,17H,13-14H2,1H3/p+1/t17-/m1/s1