N-(2-cyanophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanophenyl)-2-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(=O)NC2=CC=CC=C2C#N)C

Isomeric SMILES

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

InChI

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