(2S)-N-(2-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-cyanophenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)NC2=CC=CC=C2C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)[C@@H](C)C(=O)NC2=CC=CC=C2C#N)C

InChI

InChI=1S/C17H23N3O/c1-12-8-13(2)11-20(10-12)14(3)17(21)19-16-7-5-4-6-15(16)9-18/h4-7,12-14H,8,10-11H2,1-3H3,(H,19,21)/p+1/t12-,13-,14+/m1/s1