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

Systemtic Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: (2S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-phenylphenyl)propionamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)[C@@H](C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O/c1-16-13-17(2)15-24(14-16)18(3)22(25)23-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-12,16-18H,13-15H2,1-3H3,(H,23,25)/p+1/t16-,17-,18+/m1/s1