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

Systemtic Name: (2S)-N-(4-acetamidophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-acetamidophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-acetamidophenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-acetamidophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-acetamidophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-12-9-13(2)11-21(10-12)14(3)18(23)20-17-7-5-16(6-8-17)19-15(4)22/h5-8,12-14H,9-11H2,1-4H3,(H,19,22)(H,20,23)/p+1/t12-,13-,14+/m1/s1