N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[(2S,6S)-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(=C2)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/c1-12-5-3-6-13(2)19(12)11-16(20)18-15-8-4-7-14(9-15)10-17/h4,7-9,12-13H,3,5-6,11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m0/s1