N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)CC#N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)CC#N)C

InChI

InChI=1S/C17H23N3O/c1-13-9-14(2)11-20(10-13)12-17(21)19-16-5-3-15(4-6-16)7-8-18/h3-6,13-14H,7,9-12H2,1-2H3,(H,19,21)/p+1/t13-,14-/m1/s1