(2R)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2R)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2R)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxo-2-phenyl-butanenitrile CAS Name: (2R)-4-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-3-oxo-2-phenylbutanenitrile IUPAC Name: (2R)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxo-2-phenylbutanenitrile Traditional Name: (2R)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-keto-2-phenyl-butyronitrile Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)C(C#N)C2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)[C@@H](C#N)C2=CC=CC=C2)C

InChI

InChI=1S/C17H22N2O/c1-13-8-14(2)11-19(10-13)12-17(20)16(9-18)15-6-4-3-5-7-15/h3-7,13-14,16H,8,10-12H2,1-2H3/p+1/t13-,14-,16+/m1/s1