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

Systemtic Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2/c1-12-9-13(2)11-20(10-12)14(3)18(22)19-17-7-5-16(6-8-17)15(4)21/h5-8,12-14H,9-11H2,1-4H3,(H,19,22)/p+1/t12-,13-,14+/m1/s1