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

Systemtic Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(m-tolyl)propionamide Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-12-6-5-7-16(9-12)18-17(20)15(4)19-10-13(2)8-14(3)11-19/h5-7,9,13-15H,8,10-11H2,1-4H3,(H,18,20)/p+1/t13-,14+,15-/m0/s1