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

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2/c1-12-8-13(2)10-19(9-12)11-17(21)18-16-6-4-15(5-7-16)14(3)20/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)/p+1/t12-,13-/m0/s1