(2S)-4-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2S)-4-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2S)-4-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-oxo-2-phenyl-butanenitrile CAS Name: (2S)-4-[(2S,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-3-oxo-2-phenylbutanenitrile IUPAC Name: (2S)-4-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-oxo-2-phenylbutanenitrile Traditional Name: (2S)-4-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-keto-2-phenyl-butyronitrile Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1C[NH+](C[C@@H](O1)C)CC(=O)[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2/c1-12-9-18(10-13(2)20-12)11-16(19)15(8-17)14-6-4-3-5-7-14/h3-7,12-13,15H,9-11H2,1-2H3/p+1/t12-,13+,15-/m1/s1