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

Systemtic Name: N-(4-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(4-cyanophenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/c1-12-7-13(2)10-19(9-12)11-16(20)18-15-5-3-14(8-17)4-6-15/h3-6,12-13H,7,9-11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m1/s1